SMIRKS
[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:304])([H:305])[H:306])[C:3]([H:142])([H:143])[H:144])[H:303])([H:301])[H:302])([H:299])[H:300])[C:8]([H:145])([H:146])[H:147])[H:298])([H:296])[H:297])([H:294])[H:295])[C:13]([H:148])([H:149])[H:150])[H:293])([H:291])[H:292])([H:289])[H:290])[C:18]([H:151])([H:152])[H:153])[H:288])([H:286])[H:287])([H:284])[H:285])[C:23]([H:154])([H:155])[H:156])[H:283])([H:281])[H:282])([H:279])[H:280])[C:28]([H:157])([H:158])[H:159])[H:278])([H:276])[H:277])([H:274])[H:275])[C:33]([H:160])([H:161])[H:162])[H:273])([H:271])[H:272])([H:269])[H:270])[C:38]([H:163])([H:164])[H:165])[H:268])([H:266])[H:267])([H:264])[H:265])[C:43]([H:166])([H:167])[H:168])[H:263])([H:261])[H:262])([H:259])[H:260])[C:48]([H:169])([H:170])[H:171])[H:258])([H:256])[H:257])([H:254])[H:255])[C:53]([H:172])([H:173])[H:174])[H:253])([H:251])[H:252])([H:249])[H:250])[C:58]([H:175])([H:176])[H:177])[H:248])([H:246])[H:247])([H:244])[H:245])[C:63]([H:178])([H:179])[H:180])[H:243])([H:241])[H:242])([H:239])[H:240])[C:68]([H:181])([H:182])[H:183])[H:238])([H:236])[H:237])([H:234])[H:235])[C:73]([H:184])([H:185])[H:186])[H:233])([H:231])[H:232])([H:229])[H:230])[C:78]([H:187])([H:188])[H:189])[H:228])([H:226])[H:227])([H:224])[H:225])[C:83]([H:190])([H:191])[H:192])[H:223])([H:221])[H:222])([H:219])[H:220])[C:88]([H:193])([H:194])[H:195])[H:218])([H:216])[H:217])([H:214])[H:215])[C:93]([H:196])([H:197])[H:198])[H:213])([H:211])[H:212])([H:209])[H:210])([C:98]([H:199])([H:200])[H:201])[H:208])([H:206])[H:207])([H:204])[H:205])(=[O:103])[O:105][H:203].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:124]1([H:312])[O:125][C@@:126]([C:127]([O:128][H:313])([H:314])[H:315])([H:316])[C@:129]([O:130][H:317])([H:318])[C@@:131]([O:132][H:319])([H:320])[C@:133]1([O:134][H:321])[H:322]>>[C:1]([C:2]([C:3]([H:142])([H:143])[H:144])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:145])([H:146])[H:147])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:148])([H:149])[H:150])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:151])([H:152])[H:153])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:154])([H:155])[H:156])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:157])([H:158])[H:159])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:160])([H:161])[H:162])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:163])([H:164])[H:165])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:166])([H:167])[H:168])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:169])([H:170])[H:171])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:172])([H:173])[H:174])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:175])([H:176])[H:177])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:178])([H:179])[H:180])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:181])([H:182])[H:183])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:184])([H:185])[H:186])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:187])([H:188])[H:189])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:190])([H:191])[H:192])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:193])([H:194])[H:195])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:196])([H:197])[H:198])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:199])([H:200])[H:201])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][C@:124]1([H:312])[O:125][C@@:126]([C:127]([O:128][H:313])([H:314])[H:315])([H:316])[C@:129]([O:130][H:317])([H:318])[C@@:131]([O:132][H:319])([H:320])[C@:133]1([O:134][H:321])[H:322])[O:105][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:305])[H:306]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1113 - Reaction Operator E
[#8](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#8:42](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15:41]
EVODEX.1-C64 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N1205 - Reaction Operator N
[H]-[#8:29]-[#15:27].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:49](-[H:115])(-[#8:50])-[#6@:56]>>[#15:27]-[#8:29]-[#6@:49](-[H:115])(-[#8:50])-[#6@:56]
EVODEX.1-Em99 - Reaction Operator Em
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
EVODEX.1-Nm132 - Reaction Operator Nm
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
Source Full Reactions
EVODEX.1-R2984
[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:304])([H:305])[H:306])[C:3]([H:142])([H:143])[H:144])[H:303])([H:301])[H:302])([H:299])[H:300])[C:8]([H:145])([H:146])[H:147])[H:298])([H:296])[H:297])([H:294])[H:295])[C:13]([H:148])([H:149])[H:150])[H:293])([H:291])[H:292])([H:289])[H:290])[C:18]([H:151])([H:152])[H:153])[H:288])([H:286])[H:287])([H:284])[H:285])[C:23]([H:154])([H:155])[H:156])[H:283])([H:281])[H:282])([H:279])[H:280])[C:28]([H:157])([H:158])[H:159])[H:278])([H:276])[H:277])([H:274])[H:275])[C:33]([H:160])([H:161])[H:162])[H:273])([H:271])[H:272])([H:269])[H:270])[C:38]([H:163])([H:164])[H:165])[H:268])([H:266])[H:267])([H:264])[H:265])[C:43]([H:166])([H:167])[H:168])[H:263])([H:261])[H:262])([H:259])[H:260])[C:48]([H:169])([H:170])[H:171])[H:258])([H:256])[H:257])([H:254])[H:255])[C:53]([H:172])([H:173])[H:174])[H:253])([H:251])[H:252])([H:249])[H:250])[C:58]([H:175])([H:176])[H:177])[H:248])([H:246])[H:247])([H:244])[H:245])[C:63]([H:178])([H:179])[H:180])[H:243])([H:241])[H:242])([H:239])[H:240])[C:68]([H:181])([H:182])[H:183])[H:238])([H:236])[H:237])([H:234])[H:235])[C:73]([H:184])([H:185])[H:186])[H:233])([H:231])[H:232])([H:229])[H:230])[C:78]([H:187])([H:188])[H:189])[H:228])([H:226])[H:227])([H:224])[H:225])[C:83]([H:190])([H:191])[H:192])[H:223])([H:221])[H:222])([H:219])[H:220])[C:88]([H:193])([H:194])[H:195])[H:218])([H:216])[H:217])([H:214])[H:215])[C:93]([H:196])([H:197])[H:198])[H:213])([H:211])[H:212])([H:209])[H:210])([C:98]([H:199])([H:200])[H:201])[H:208])([H:206])[H:207])([H:204])[H:205])(=[O:103])[O:105][H:203].[O:106]=[C:107]1:[C:108]([H:307]):[C:109]([H:308]):[N:110]([C@:111]2([H:309])[O:112][C@@:113]([C:114]([O:115][P:116](=[O:117])([O:118][H:310])[O:119][P:120](=[O:121])([O:122][H:311])[O:123][C@@:124]3([H:312])[O:125][C@@:126]([C:127]([O:128][H:313])([H:314])[H:315])([H:316])[C@:129]([O:130][H:317])([H:318])[C@@:131]([O:132][H:319])([H:320])[C@:133]3([O:134][H:321])[H:322])([H:323])[H:324])([H:325])[C@:135]([O:136][H:326])([H:327])[C@:137]2([O:138][H:328])[H:329]):[C:139](=[O:140]):[N:141]:1[H:330]>>[C:1]([C:2]([C:3]([H:142])([H:143])[H:144])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:145])([H:146])[H:147])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:148])([H:149])[H:150])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:151])([H:152])[H:153])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:154])([H:155])[H:156])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:157])([H:158])[H:159])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:160])([H:161])[H:162])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:163])([H:164])[H:165])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:166])([H:167])[H:168])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:169])([H:170])[H:171])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:172])([H:173])[H:174])=[C:54]([C:55]([C:56]([C:57]([C:58]([H:175])([H:176])[H:177])=[C:59]([C:60]([C:61]([C:62]([C:63]([H:178])([H:179])[H:180])=[C:64]([C:65]([C:66]([C:67]([C:68]([H:181])([H:182])[H:183])=[C:69]([C:70]([C:71]([C:72]([C:73]([H:184])([H:185])[H:186])=[C:74]([C:75]([C:76]([C:77]([C:78]([H:187])([H:188])[H:189])=[C:79]([C:80]([C:81]([C:82]([C:83]([H:190])([H:191])[H:192])=[C:84]([C:85]([C:86]([C:87]([C:88]([H:193])([H:194])[H:195])=[C:89]([C:90]([C:91]([C:92]([C:93]([H:196])([H:197])[H:198])=[C:94]([C:95]([C:96]([C:97]([C:98]([H:199])([H:200])[H:201])([C:99]([C:100]([O:101][P:102](=[O:103])([O:104][C@:124]1([H:312])[O:125][C@@:126]([C:127]([O:128][H:313])([H:314])[H:315])([H:316])[C@:129]([O:130][H:317])([H:318])[C@@:131]([O:132][H:319])([H:320])[C@:133]1([O:134][H:321])[H:322])[O:105][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:305])[H:306].[H][O:123][P:120]([O:119][P:116]([O:115][C:114]([C@@:113]1([H:325])[O:112][C@:111]([N:110]2:[C:109]([H:308]):[C:108]([H:307]):[C:107](=[O:106]):[N:141]([H:330]):[C:139]:2=[O:140])([H:309])[C@@:137]([O:138][H:328])([H:329])[C@@:135]1([O:136][H:326])[H:327])([H:323])[H:324])(=[O:117])[O:118][H:310])(=[O:121])[O:122][H:311]