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EVODEX.1-P1310

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][N:28]([C:29]([C:30]([C:31]1:[C:32]([H:59]):[N:33]([H:60]):[C:34]([H:61]):[N:35]:1)([H:62])[H:63])([H:64])[H:65])[H:66]>>[C:1]([N:28]([C:29]([C:30]([C:31]1:[C:32]([H:59]):[N:33]([H:60]):[C:34]([H:61]):[N:35]:1)([H:62])[H:63])([H:64])[H:65])[H:66])([H:56])([H:57])[H:58].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55]

Derived Operators

EVODEX.1-F3 - Elemental Balance

H-1

EVODEX.1-M23 - Mass Difference

-1.00783

EVODEX.1-E36 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:56])(-[H:57])-[H:58].[#7:28](-[#6:29])(-[H:66])-[H]>>[#6:1](-[#7:28](-[#6:29])-[H:66])(-[H:56])(-[H:57])-[H:58].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-C11 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#6:3].[H]-[#7:35]>>[#6:3]-[#7:35].[#16:2]

EVODEX.1-N1198 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:56])(-[H:57])-[H:58].[H]-[#7:28](-[#6:29])-[H:66]>>[#6:1](-[#7:28](-[#6:29])-[H:66])(-[H:56])(-[H:57])-[H:58].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Em396 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#7:28]-[#6:29]>>[#6:1]-[#7:28]-[#6:29].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Cm46 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16:2]-[#6:3].[H]-[#7:35]>>[#6:3]-[#7:35].[#16:2]

EVODEX.1-Nm356 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#7:28]-[#6:29]>>[#6:1]-[#7:28]-[#6:29].[#16:2](-[#6:3])-[#6:10]

Source Full Reactions

EVODEX.1-R1771

Full Reaction Rendering

[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][N:28]([C:29]([C:30]([C:31]1:[C:32]([H:59]):[N:33]([H:60]):[C:34]([H:61]):[N:35]:1)([H:62])[H:63])([H:64])[H:65])[H:66]>>[C:1]([N:28]([C:29]([C:30]([C:31]1:[C:32]([H:59]):[N:33]([H:60]):[C:34]([H:61]):[N:35]:1)([H:62])[H:63])([H:64])[H:65])[H:66])([H:56])([H:57])[H:58].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55]