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EVODEX.1-P1302

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F3 - Elemental Balance

H-1

EVODEX.1-M23 - Mass Difference

-1.00783

EVODEX.1-E35 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:60])(-[H:61])-[H:62].[#16:28](-[#6:29])-[H]>>[#6:1](-[#16:28]-[#6:29])(-[H:60])(-[H:61])-[H:62].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-C80 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:44]-[#16:45].[H]-[#16:18]>>[#16:18]-[#6:44].[H]-[#16:45]

EVODEX.1-N283 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:54])(-[H:55])-[H:56].[H]-[#16:31]-[#6:30]>>[#6:1](-[#16:31]-[#6:30])(-[H:54])(-[H:55])-[H:56].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Em86 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#16:31]-[#6:30]>>[#6:1]-[#16:31]-[#6:30].[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Cm100 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:44]-[#16:45].[H]-[#16:18]>>[#16:18]-[#6:44].[H]-[#16:45]

EVODEX.1-Nm122 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#16:31]-[#6:30]>>[#6:1]-[#16:31]-[#6:30].[#16:2](-[#6:3])-[#6:10]

Source Full Reactions

EVODEX.1-R1723

Full Reaction Rendering

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