EVODEX.1-P2063

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:53])([C:17]([C:18]([H:54])([H:55])[H:56])([C:19]([H:57])([H:58])[H:59])[C:20]([O:21][P:22](=[O:23])([O:24][H:60])[O:25][P:26](=[O:27])([O:28][H:61])[O:29][C:30]([C@@:31]1([H:62])[O:32][C@:33]([N:34]2:[C:35]([H:63]):[N:36]:[C:37]3:[C:38]([N:39]([H:64])[H:65]):[N:40]:[C:41]([H:66]):[N:42]:[C:43]:2:3)([H:67])[C@@:44]([O:45][H:68])([H:69])[C@@:46]1([O:47][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])([H:88])[H:89].[H][O:50][P:49](=[O:48])([O:51][H:91])[O:52][H:92]>>[C:1]([C:2](=[O:3])[O:50][P:49](=[O:48])([O:51][H:91])[O:52][H:92])([H:87])([H:88])[H:89].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:53])([C:17]([C:18]([H:54])([H:55])[H:56])([C:19]([H:57])([H:58])[H:59])[C:20]([O:21][P:22](=[O:23])([O:24][H:60])[O:25][P:26](=[O:27])([O:28][H:61])[O:29][C:30]([C@@:31]1([H:62])[O:32][C@:33]([N:34]2:[C:35]([H:63]):[N:36]:[C:37]3:[C:38]([N:39]([H:64])[H:65]):[N:40]:[C:41]([H:66]):[N:42]:[C:43]:2:3)([H:67])[C@@:44]([O:45][H:68])([H:69])[C@@:46]1([O:47][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E230 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[#15:49]-[#8:50]-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[#16:4](-[#6:5])-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N355 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Em449 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm402 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#8:50]-[#15:49]>>[#6:1]-[#6:2](=[#8:3])-[#8:50]-[#15:49].[H]-[#16:4]-[#6:5]

Source Full Reactions

EVODEX.1-R2722

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:53])([C:17]([C:18]([H:54])([H:55])[H:56])([C:19]([H:57])([H:58])[H:59])[C:20]([O:21][P:22](=[O:23])([O:24][H:60])[O:25][P:26](=[O:27])([O:28][H:61])[O:29][C:30]([C@@:31]1([H:62])[O:32][C@:33]([N:34]2:[C:35]([H:63]):[N:36]:[C:37]3:[C:38]([N:39]([H:64])[H:65]):[N:40]:[C:41]([H:66]):[N:42]:[C:43]:2:3)([H:67])[C@@:44]([O:45][H:68])([H:69])[C@@:46]1([O:47][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])([H:88])[H:89].[H][O:50][P:49](=[O:48])([O:51][H:91])[O:52][H:92]>>[C:1]([C:2](=[O:3])[O:50][P:49](=[O:48])([O:51][H:91])[O:52][H:92])([H:87])([H:88])[H:89].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:53])([C:17]([C:18]([H:54])([H:55])[H:56])([C:19]([H:57])([H:58])[H:59])[C:20]([O:21][P:22](=[O:23])([O:24][H:60])[O:25][P:26](=[O:27])([O:28][H:61])[O:29][C:30]([C@@:31]1([H:62])[O:32][C@:33]([N:34]2:[C:35]([H:63]):[N:36]:[C:37]3:[C:38]([N:39]([H:64])[H:65]):[N:40]:[C:41]([H:66]):[N:42]:[C:43]:2:3)([H:67])[C@@:44]([O:45][H:68])([H:69])[C@@:46]1([O:47][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86]