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EVODEX.1-P2251

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:147][C@@:145]([C@@:124]([C:122]([N:121]([C@@:120]([C:118]([C:117]([H:182])([H:183])[H:184])([C:119]([H:151])([H:152])[H:153])[H:181])([C:148](=[O:149])[O:150][H:179])[H:180])[H:178])=[O:123])([N:125]([C:126](=[O:127])[C@:128]([C:129]([C:130]1:[C:131]([H:154]):[C:132]([H:155]):[C:133]([O:134][H:156]):[C:135]([H:157]):[C:136]:1[H:158])([H:159])[H:160])([N:137]([C:138](=[O:139])[C@:140]1([H:161])[C:141]([H:162])([H:163])[C:142]([H:164])([H:165])[C:143]([H:166])([H:167])[N:144]1[H:168])[H:169])[H:170])[H:171])[H:177])([C:146]([H:172])([H:173])[H:174])[H:176].[C:1]([C:2]([C:3]([H:185])([H:186])[H:187])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:188])([H:189])[H:190])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:191])([H:192])[H:193])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:194])([H:195])[H:196])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:197])([H:198])[H:199])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:200])([H:201])[H:202])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:203])([H:204])[H:205])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:206])([H:207])[H:208])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:209])([H:210])[H:211])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:212])([H:213])[H:214])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:215])([H:216])[H:217])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:218])([H:219])[H:220])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:221])([H:222])[H:223])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:224])([H:225])[H:226])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:227])([H:228])[H:229])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:230])([H:231])[H:232])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:233])([H:234])[H:235])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:236])([H:237])[H:238])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:239])([H:240])[H:241])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:242])([H:243])[H:244])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][H:245])[O:105][C@:106]1([H:246])[O:107][C@@:108]([C:109]([O:110][H:247])([H:248])[H:249])([H:250])[C@:111]([O:112][H:251])([H:252])[C@@:113]([O:114][H:253])([H:254])[C@@:115]1([O:116][H:255])[H:256])([H:257])[H:258])([H:259])[H:260])[H:261])([H:262])[H:263])([H:264])[H:265])[H:266])([H:267])[H:268])([H:269])[H:270])[H:271])([H:272])[H:273])([H:274])[H:275])[H:276])([H:277])[H:278])([H:279])[H:280])[H:281])([H:282])[H:283])([H:284])[H:285])[H:286])([H:287])[H:288])([H:289])[H:290])[H:291])([H:292])[H:293])([H:294])[H:295])[H:296])([H:297])[H:298])([H:299])[H:300])[H:301])([H:302])[H:303])([H:304])[H:305])[H:306])([H:307])[H:308])([H:309])[H:310])[H:311])([H:312])[H:313])([H:314])[H:315])[H:316])([H:317])[H:318])([H:319])[H:320])[H:321])([H:322])[H:323])([H:324])[H:325])[H:326])([H:327])[H:328])([H:329])[H:330])[H:331])([H:332])[H:333])([H:334])[H:335])[H:336])([H:337])[H:338])([H:339])[H:340])[H:341])([H:342])[H:343])([H:344])[H:345])[H:346])([H:347])[H:348])([H:349])[H:350])[H:351])([H:352])[H:353])([H:354])[H:355])[H:356])([H:357])([H:358])[H:359]>>[C@@:106]1([O:147][C@@:145]([C@@:124]([C:122]([N:121]([C@@:120]([C:118]([C:117]([H:182])([H:183])[H:184])([C:119]([H:151])([H:152])[H:153])[H:181])([C:148](=[O:149])[O:150][H:179])[H:180])[H:178])=[O:123])([N:125]([C:126](=[O:127])[C@:128]([C:129]([C:130]2:[C:131]([H:154]):[C:132]([H:155]):[C:133]([O:134][H:156]):[C:135]([H:157]):[C:136]:2[H:158])([H:159])[H:160])([N:137]([C:138](=[O:139])[C@:140]2([H:161])[C:141]([H:162])([H:163])[C:142]([H:164])([H:165])[C:143]([H:166])([H:167])[N:144]2[H:168])[H:169])[H:170])[H:171])[H:177])([C:146]([H:172])([H:173])[H:174])[H:176])([H:246])[O:107][C@@:108]([C:109]([O:110][H:247])([H:248])[H:249])([H:250])[C@:111]([O:112][H:251])([H:252])[C@@:113]([O:114][H:253])([H:254])[C@@:115]1([O:116][H:255])[H:256].[H][O:105][P:102]([O:101][C:100]([C:99]([C:97]([C:96]([C:95]([C:94](=[C:92]([C:91]([C:90]([C:89](=[C:87]([C:86]([C:85]([C:84](=[C:82]([C:81]([C:80]([C:79](=[C:77]([C:76]([C:75]([C:74](=[C:72]([C:71]([C:70]([C:69](=[C:67]([C:66]([C:65]([C:64](=[C:62]([C:61]([C:60]([C:59](=[C:57]([C:56]([C:55]([C:54](=[C:52]([C:51]([C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([C:30]([C:29](=[C:27]([C:26]([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:357])([H:358])[H:359])[C:3]([H:185])([H:186])[H:187])[H:356])([H:354])[H:355])([H:352])[H:353])[C:8]([H:188])([H:189])[H:190])[H:351])([H:349])[H:350])([H:347])[H:348])[C:13]([H:191])([H:192])[H:193])[H:346])([H:344])[H:345])([H:342])[H:343])[C:18]([H:194])([H:195])[H:196])[H:341])([H:339])[H:340])([H:337])[H:338])[C:23]([H:197])([H:198])[H:199])[H:336])([H:334])[H:335])([H:332])[H:333])[C:28]([H:200])([H:201])[H:202])[H:331])([H:329])[H:330])([H:327])[H:328])[C:33]([H:203])([H:204])[H:205])[H:326])([H:324])[H:325])([H:322])[H:323])[C:38]([H:206])([H:207])[H:208])[H:321])([H:319])[H:320])([H:317])[H:318])[C:43]([H:209])([H:210])[H:211])[H:316])([H:314])[H:315])([H:312])[H:313])[C:48]([H:212])([H:213])[H:214])[H:311])([H:309])[H:310])([H:307])[H:308])[C:53]([H:215])([H:216])[H:217])[H:306])([H:304])[H:305])([H:302])[H:303])[C:58]([H:218])([H:219])[H:220])[H:301])([H:299])[H:300])([H:297])[H:298])[C:63]([H:221])([H:222])[H:223])[H:296])([H:294])[H:295])([H:292])[H:293])[C:68]([H:224])([H:225])[H:226])[H:291])([H:289])[H:290])([H:287])[H:288])[C:73]([H:227])([H:228])[H:229])[H:286])([H:284])[H:285])([H:282])[H:283])[C:78]([H:230])([H:231])[H:232])[H:281])([H:279])[H:280])([H:277])[H:278])[C:83]([H:233])([H:234])[H:235])[H:276])([H:274])[H:275])([H:272])[H:273])[C:88]([H:236])([H:237])[H:238])[H:271])([H:269])[H:270])([H:267])[H:268])[C:93]([H:239])([H:240])[H:241])[H:266])([H:264])[H:265])([H:262])[H:263])([C:98]([H:242])([H:243])[H:244])[H:261])([H:259])[H:260])([H:257])[H:258])(=[O:103])[O:104][H:245]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E120 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:142])-[#8:32])-[#15:8].([#7:83]-[#6@:84](-[#6:85])(-[#6:125])-[H:230].[#8:124](-[#6@@:122])-[H])>>([#8:124](-[#6@:6](-[#6@@:5])(-[H:142])-[#8:32])-[#6@@:122].[#6:85]-[#6@@:84](-[#7:83])(-[#6:125])-[H:230]).[#8:7](-[#15:8])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N7 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#15:8].[H]-[#8:78]-[#6@:77]>>[#8:78](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#6@:77].[H]-[#8:7]-[#15:8]

EVODEX.1-Em20 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm20 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

Source Full Reactions

EVODEX.1-R2981

Full Reaction Rendering

[H][O:147][C@@:145]([C@@:124]([C:122]([N:121]([C@@:120]([C:118]([C:117]([H:182])([H:183])[H:184])([C:119]([H:151])([H:152])[H:153])[H:181])([C:148](=[O:149])[O:150][H:179])[H:180])[H:178])=[O:123])([N:125]([C:126](=[O:127])[C@:128]([C:129]([C:130]1:[C:131]([H:154]):[C:132]([H:155]):[C:133]([O:134][H:156]):[C:135]([H:157]):[C:136]:1[H:158])([H:159])[H:160])([N:137]([C:138](=[O:139])[C@:140]1([H:161])[C:141]([H:162])([H:163])[C:142]([H:164])([H:165])[C:143]([H:166])([H:167])[N:144]1[H:168])[H:169])[H:170])[H:171])[H:177])([C:146]([H:172])([H:173])[H:174])[H:176].[C:1]([C:2]([C:3]([H:185])([H:186])[H:187])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:188])([H:189])[H:190])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:191])([H:192])[H:193])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:194])([H:195])[H:196])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:197])([H:198])[H:199])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:200])([H:201])[H:202])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:203])([H:204])[H:205])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:206])([H:207])[H:208])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:209])([H:210])[H:211])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:212])([H:213])[H:214])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:215])([H:216])[H:217])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:218])([H:219])[H:220])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:221])([H:222])[H:223])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:224])([H:225])[H:226])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:227])([H:228])[H:229])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:230])([H:231])[H:232])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:233])([H:234])[H:235])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:236])([H:237])[H:238])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:239])([H:240])[H:241])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:242])([H:243])[H:244])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][H:245])[O:105][C@:106]1([H:246])[O:107][C@@:108]([C:109]([O:110][H:247])([H:248])[H:249])([H:250])[C@:111]([O:112][H:251])([H:252])[C@@:113]([O:114][H:253])([H:254])[C@@:115]1([O:116][H:255])[H:256])([H:257])[H:258])([H:259])[H:260])[H:261])([H:262])[H:263])([H:264])[H:265])[H:266])([H:267])[H:268])([H:269])[H:270])[H:271])([H:272])[H:273])([H:274])[H:275])[H:276])([H:277])[H:278])([H:279])[H:280])[H:281])([H:282])[H:283])([H:284])[H:285])[H:286])([H:287])[H:288])([H:289])[H:290])[H:291])([H:292])[H:293])([H:294])[H:295])[H:296])([H:297])[H:298])([H:299])[H:300])[H:301])([H:302])[H:303])([H:304])[H:305])[H:306])([H:307])[H:308])([H:309])[H:310])[H:311])([H:312])[H:313])([H:314])[H:315])[H:316])([H:317])[H:318])([H:319])[H:320])[H:321])([H:322])[H:323])([H:324])[H:325])[H:326])([H:327])[H:328])([H:329])[H:330])[H:331])([H:332])[H:333])([H:334])[H:335])[H:336])([H:337])[H:338])([H:339])[H:340])[H:341])([H:342])[H:343])([H:344])[H:345])[H:346])([H:347])[H:348])([H:349])[H:350])[H:351])([H:352])[H:353])([H:354])[H:355])[H:356])([H:357])([H:358])[H:359]>>[C@@:106]1([O:147][C@@:145]([C@@:124]([C:122]([N:121]([C@@:120]([C:118]([C:117]([H:182])([H:183])[H:184])([C:119]([H:151])([H:152])[H:153])[H:181])([C:148](=[O:149])[O:150][H:179])[H:180])[H:178])=[O:123])([N:125]([C:126](=[O:127])[C@:128]([C:129]([C:130]2:[C:131]([H:154]):[C:132]([H:155]):[C:133]([O:134][H:156]):[C:135]([H:157]):[C:136]:2[H:158])([H:159])[H:160])([N:137]([C:138](=[O:139])[C@:140]2([H:161])[C:141]([H:162])([H:163])[C:142]([H:164])([H:165])[C:143]([H:166])([H:167])[N:144]2[H:168])[H:169])[H:170])[H:171])[H:177])([C:146]([H:172])([H:173])[H:174])[H:176])([H:246])[O:107][C@@:108]([C:109]([O:110][H:247])([H:248])[H:249])([H:250])[C@:111]([O:112][H:251])([H:252])[C@@:113]([O:114][H:253])([H:254])[C@@:115]1([O:116][H:255])[H:256].[H][O:105][P:102]([O:101][C:100]([C:99]([C:97]([C:96]([C:95]([C:94](=[C:92]([C:91]([C:90]([C:89](=[C:87]([C:86]([C:85]([C:84](=[C:82]([C:81]([C:80]([C:79](=[C:77]([C:76]([C:75]([C:74](=[C:72]([C:71]([C:70]([C:69](=[C:67]([C:66]([C:65]([C:64](=[C:62]([C:61]([C:60]([C:59](=[C:57]([C:56]([C:55]([C:54](=[C:52]([C:51]([C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([C:30]([C:29](=[C:27]([C:26]([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:357])([H:358])[H:359])[C:3]([H:185])([H:186])[H:187])[H:356])([H:354])[H:355])([H:352])[H:353])[C:8]([H:188])([H:189])[H:190])[H:351])([H:349])[H:350])([H:347])[H:348])[C:13]([H:191])([H:192])[H:193])[H:346])([H:344])[H:345])([H:342])[H:343])[C:18]([H:194])([H:195])[H:196])[H:341])([H:339])[H:340])([H:337])[H:338])[C:23]([H:197])([H:198])[H:199])[H:336])([H:334])[H:335])([H:332])[H:333])[C:28]([H:200])([H:201])[H:202])[H:331])([H:329])[H:330])([H:327])[H:328])[C:33]([H:203])([H:204])[H:205])[H:326])([H:324])[H:325])([H:322])[H:323])[C:38]([H:206])([H:207])[H:208])[H:321])([H:319])[H:320])([H:317])[H:318])[C:43]([H:209])([H:210])[H:211])[H:316])([H:314])[H:315])([H:312])[H:313])[C:48]([H:212])([H:213])[H:214])[H:311])([H:309])[H:310])([H:307])[H:308])[C:53]([H: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