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EVODEX.1-P2507

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:104][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:302])([H:303])[H:304])[C:3]([H:140])([H:141])[H:142])[H:301])([H:299])[H:300])([H:297])[H:298])[C:8]([H:143])([H:144])[H:145])[H:296])([H:294])[H:295])([H:292])[H:293])[C:13]([H:146])([H:147])[H:148])[H:291])([H:289])[H:290])([H:287])[H:288])[C:18]([H:149])([H:150])[H:151])[H:286])([H:284])[H:285])([H:282])[H:283])[C:23]([H:152])([H:153])[H:154])[H:281])([H:279])[H:280])([H:277])[H:278])[C:28]([H:155])([H:156])[H:157])[H:276])([H:274])[H:275])([H:272])[H:273])[C:33]([H:158])([H:159])[H:160])[H:271])([H:269])[H:270])([H:267])[H:268])[C:38]([H:161])([H:162])[H:163])[H:266])([H:264])[H:265])([H:262])[H:263])[C:43]([H:164])([H:165])[H:166])[H:261])([H:259])[H:260])([H:257])[H:258])[C:48]([H:167])([H:168])[H:169])[H:256])([H:254])[H:255])([H:252])[H:253])[C:53]([H:170])([H:171])[H:172])[H:251])([H:249])[H:250])([H:247])[H:248])[C:58]([H:173])([H:174])[H:175])[H:246])([H:244])[H:245])([H:242])[H:243])[C:63]([H:176])([H:177])[H:178])[H:241])([H:239])[H:240])([H:237])[H:238])[C:68]([H:179])([H:180])[H:181])[H:236])([H:234])[H:235])([H:232])[H:233])[C:73]([H:182])([H:183])[H:184])[H:231])([H:229])[H:230])([H:227])[H:228])[C:78]([H:185])([H:186])[H:187])[H:226])([H:224])[H:225])([H:222])[H:223])[C:83]([H:188])([H:189])[H:190])[H:221])([H:219])[H:220])([H:217])[H:218])[C:88]([H:191])([H:192])[H:193])[H:216])([H:214])[H:215])([H:212])[H:213])[C:93]([H:194])([H:195])[H:196])[H:211])([H:209])[H:210])([H:207])[H:208])([C:98]([H:197])([H:198])[H:199])[H:206])([H:204])[H:205])([H:202])[H:203])(=[O:103])[O:105][H:201].[O:106]=[C:107]1:[C:108]([H:305]):[C:109]([H:306]):[N:110]([C@:111]2([H:307])[O:112][C@@:113]([C:114]([O:115][P:116](=[O:117])([O:118][H:308])[O:119][P:120](=[O:121])([O:122][H:309])[O:123][C@@:124]3([H:310])[O:125][C:126]([H:311])([H:312])[C@:127]([O:128][H:313])([H:314])[C@@:129]([O:130][H:315])([H:316])[C@:131]3([O:132][H:317])[H:318])([H:319])[H:320])([H:321])[C@:133]([O:134][H:322])([H:323])[C@:135]2([O:136][H:324])[H:325]):[C:137](=[O:138]):[N:139]:1[H:326]>>[C:1]([C:2]([C:3]([H:140])([H:141])[H:142])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:143])([H:144])[H:145])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:146])([H:147])[H:148])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:149])([H:150])[H:151])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:152])([H:153])[H:154])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:155])([H:156])[H:157])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:158])([H:159])[H:160])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:161])([H:162])[H:163])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:164])([H:165])[H:166])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:167])([H:168])[H:169])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:170])([H:171])[H:172])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:173])([H:174])[H:175])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:176])([H:177])[H:178])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:179])([H:180])[H:181])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:182])([H:183])[H:184])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:185])([H:186])[H:187])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:188])([H:189])[H:190])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:191])([H:192])[H:193])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:194])([H:195])[H:196])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:197])([H:198])[H:199])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][C@@:124]1([H:310])[O:125][C:126]([H:311])([H:312])[C@:127]([O:128][H:313])([H:314])[C@@:129]([O:130][H:315])([H:316])[C@:131]1([O:132][H:317])[H:318])[O:105][H:201])([H:202])[H:203])([H:204])[H:205])[H:206])([H:207])[H:208])([H:209])[H:210])[H:211])([H:212])[H:213])([H:214])[H:215])[H:216])([H:217])[H:218])([H:219])[H:220])[H:221])([H:222])[H:223])([H:224])[H:225])[H:226])([H:227])[H:228])([H:229])[H:230])[H:231])([H:232])[H:233])([H:234])[H:235])[H:236])([H:237])[H:238])([H:239])[H:240])[H:241])([H:242])[H:243])([H:244])[H:245])[H:246])([H:247])[H:248])([H:249])[H:250])[H:251])([H:252])[H:253])([H:254])[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][O:123][P:120]([O:119][P:116]([O:115][C:114]([C@@:113]1([H:321])[O:112][C@:111]([N:110]2:[C:109]([H:306]):[C:108]([H:305]):[C:107](=[O:106]):[N:139]([H:326]):[C:137]:2=[O:138])([H:307])[C@@:135]([O:136][H:324])([H:325])[C@@:133]1([O:134][H:322])[H:323])([H:319])[H:320])(=[O:117])[O:118][H:308])(=[O:121])[O:122][H:309]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E132 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:20]-[#8:22]-[H].[#15:29]-[#8:32]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42]>>[#15:20]-[#8:22]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42].[#15:29]-[#8:32]-[H]

EVODEX.1-C42 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:19]-[#6:20].[#6@:32]-[#6@:34]).[H]-[#8:36]>>[#6:20]-[#8:36].([H]-[#8:19].[#6@@:34]-[#6@@:32])

EVODEX.1-N1208 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:20]-[#8:23]-[#6@@:24](-[H:47])(-[#8:25])-[#6@:31].[#8:34]-[#6@@:33](-[#6@@:13])(-[H:60])-[#6@:35](-[#6@:11])(-[#8:36])-[H:62]).[H]-[#8:39]-[#15:38]>>[#8:39](-[#6@@:24](-[H:47])(-[#8:25])-[#6@:31])-[#15:38].([H]-[#8:23]-[#15:20].[#8:36]-[#6@:35](-[#6@:11])(-[H:62])-[#6@@:33](-[#6@@:13])(-[#8:34])-[H:60])

EVODEX.1-Em100 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

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-Nm133 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]

Source Full Reactions

EVODEX.1-R3259

Full Reaction Rendering

[H][O:104][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:302])([H:303])[H:304])[C:3]([H:140])([H:141])[H:142])[H:301])([H:299])[H:300])([H:297])[H:298])[C:8]([H:143])([H:144])[H:145])[H:296])([H:294])[H:295])([H:292])[H:293])[C:13]([H:146])([H:147])[H:148])[H:291])([H:289])[H:290])([H:287])[H:288])[C:18]([H:149])([H:150])[H:151])[H:286])([H:284])[H:285])([H:282])[H:283])[C:23]([H:152])([H:153])[H:154])[H:281])([H:279])[H:280])([H:277])[H:278])[C:28]([H:155])([H:156])[H:157])[H:276])([H:274])[H:275])([H:272])[H:273])[C:33]([H:158])([H:159])[H:160])[H:271])([H:269])[H:270])([H:267])[H:268])[C:38]([H:161])([H:162])[H:163])[H:266])([H:264])[H:265])([H:262])[H:263])[C:43]([H:164])([H:165])[H:166])[H:261])([H:259])[H:260])([H:257])[H:258])[C:48]([H:167])([H:168])[H:169])[H:256])([H:254])[H:255])([H:252])[H:253])[C:53]([H:170])([H:171])[H:172])[H:251])([H:249])[H:250])([H:247])[H:248])[C:58]([H:173])([H:174])[H:175])[H:246])([H:244])[H:245])([H:242])[H:243])[C:63]([H:176])([H:177])[H:178])[H:241])([H:239])[H:240])([H:237])[H:238])[C:68]([H:179])([H:180])[H:181])[H:236])([H:234])[H:235])([H:232])[H:233])[C:73]([H:182])([H:183])[H:184])[H:231])([H:229])[H:230])([H:227])[H:228])[C:78]([H:185])([H:186])[H:187])[H:226])([H:224])[H:225])([H:222])[H:223])[C:83]([H:188])([H:189])[H:190])[H:221])([H:219])[H:220])([H:217])[H:218])[C:88]([H:191])([H:192])[H:193])[H:216])([H:214])[H:215])([H:212])[H:213])[C:93]([H:194])([H:195])[H:196])[H:211])([H:209])[H:210])([H:207])[H:208])([C:98]([H:197])([H:198])[H:199])[H:206])([H:204])[H:205])([H:202])[H:203])(=[O:103])[O:105][H:201].[O:106]=[C:107]1:[C:108]([H:305]):[C:109]([H:306]):[N:110]([C@:111]2([H:307])[O:112][C@@:113]([C:114]([O:115][P:116](=[O:117])([O:118][H:308])[O:119][P:120](=[O:121])([O:122][H:309])[O:123][C@@:124]3([H:310])[O:125][C:126]([H:311])([H:312])[C@:127]([O:128][H:313])([H:314])[C@@:129]([O:130][H:315])([H:316])[C@:131]3([O:132][H:317])[H:318])([H:319])[H:320])([H:321])[C@:133]([O:134][H:322])([H:323])[C@:135]2([O:136][H:324])[H:325]):[C:137](=[O:138]):[N:139]:1[H:326]>>[C:1]([C:2]([C:3]([H:140])([H:141])[H:142])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:143])([H:144])[H:145])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:146])([H:147])[H:148])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:149])([H:150])[H:151])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:152])([H:153])[H:154])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:155])([H:156])[H:157])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:158])([H:159])[H:160])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:161])([H:162])[H:163])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:164])([H:165])[H:166])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:167])([H:168])[H:169])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:170])([H:171])[H:172])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:173])([H:174])[H:175])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:176])([H:177])[H:178])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:179])([H:180])[H:181])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:182])([H:183])[H:184])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:185])([H:186])[H:187])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:188])([H:189])[H:190])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:191])([H:192])[H:193])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:194])([H:195])[H:196])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:197])([H:198])[H:199])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][C@@:124]1([H:310])[O:125][C:126]([H:311])([H:312])[C@:127]([O:128][H:313])([H:314])[C@@:129]([O:130][H:315])([H:316])[C@:131]1([O:132][H:317])[H:318])[O:105][H:201])([H:202])[H:203])([H:204])[H:205])[H:206])([H:207])[H:208])([H:209])[H:210])[H:211])([H:212])[H:213])([H:214])[H:215])[H:216])([H:217])[H:218])([H:219])[H:220])[H:221])([H:222])[H:223])([H:224])[H:225])[H:226])([H:227])[H:228])([H:229])[H:230])[H:231])([H:232])[H:233])([H:234])[H:235])[H:236])([H:237])[H:238])([H:239])[H:240])[H:241])([H:242])[H:243])([H:244])[H:245])[H:246])([H:247])[H:248])([H:249])[H:250])[H:251])([H:252])[H:253])([H:254])[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][O:123][P:120]([O:119][P:116]([O:115][C:114]([C@@:113]1([H:321])[O:112][C@:111]([N:110]2:[C:109]([H:306]):[C:108]([H:305]):[C:107](=[O:106]):[N:139]([H:326]):[C:137]:2=[O:138])([H:307])[C@@:135]([O:136][H:324])([H:325])[C@@:133]1([O:134][H:322])[H:323])([H:319])[H:320])(=[O:117])[O:118][H:308])(=[O:121])[O:122][H:309]