EVODEX.1-P1821

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E58 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C86 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-N209 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em299 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm114 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-Nm295 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R2473

Full Reaction Rendering

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