EVODEX.1-P5171

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([C:24](=[O:25])[S:26][C:27]([C:28]1:[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]([H:51]):[C:33]:1[H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])[H:63].[H][O:34][H:64]>>[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([C:24](=[O:25])[O:34][H:64])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])[H:63].[H][S:26][C:27]([C:28]1:[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]([H:51]):[C:33]:1[H:52])([H:53])[H:54]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E143 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[#8:55](-[H:99])-[H]>>[#6:49](=[#8:50])(-[#6:51])-[#8:55]-[H:99].[#6:47]-[#16:48]-[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-N655 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:24](-[#6@:8])(=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]-[H:64]>>[#6:24](-[#6@:8])(=[#8:25])-[#8:34]-[H:64].[H]-[#16:26]-[#6:27]

EVODEX.1-Em617 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:24](=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]>>[#6:8]-[#6:24](=[#8:25])-[#8:34].[H]-[#16:26]-[#6:27]

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-Nm552 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:24](=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]>>[#6:8]-[#6:24](=[#8:25])-[#8:34].[H]-[#16:26]-[#6:27]

Source Full Reactions

EVODEX.1-R5934

Full Reaction Rendering

[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([C:24](=[O:25])[S:26][C:27]([C:28]1:[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]([H:51]):[C:33]:1[H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])[H:63].[H][O:34][H:64]>>[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([C:24](=[O:25])[O:34][H:64])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])[H:63].[H][S:26][C:27]([C:28]1:[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]([H:51]):[C:33]:1[H:52])([H:53])[H:54]