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EVODEX.1-P1317

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])[S+:2]([C:3]([C:4]([C@:5]([N:6]([H:32])[H:33])([C:7](=[O:8])[O:9][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[C:10]([C@@:11]1([H:40])[O:12][C@:13]([N:14]2:[N:15]:[N:16]:[C:17]3:[C:18]([N:19]([H:41])[H:42]):[N:20]:[C:21]([H:43]):[N:22]:[C:23]:2:3)([H:44])[C@@:24]([O:25][H:45])([H:46])[C@@:26]1([O:27][H:47])[H:48])([H:49])[H:50]>>[S:2]([C:3]([C:4]([C@:5]([N:6]([H:32])[H:33])([C:7](=[O:8])[O:9][H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[C:10]([C@@:11]1([H:40])[O:12][C@:13]([N:14]2:[N:15]:[N:16]:[C:17]3:[C:18]([N:19]([H:41])[H:42]):[N:20]:[C:21]([H:43]):[N:22]:[C:23]:2:3)([H:44])[C@@:24]([O:25][H:45])([H:46])[C@@:26]1([O:27][H:47])[H:48])([H:49])[H:50]

Derived Operators

EVODEX.1-F186 - Elemental Balance

C-1
H-3

EVODEX.1-M270 - Mass Difference

-15.02349

EVODEX.1-E882 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#16:2](-[#6:3])-[#6:10])(-[H])(-[H])-[H]>>[#16:2](-[#6:3])-[#6:10]

EVODEX.1-C253 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#16:2]>>[#16:2]

EVODEX.1-N268 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Em390 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]

EVODEX.1-Cm73 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#16:18]>>[H]-[#16:18]

EVODEX.1-Nm350 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]

Source Full Reactions

EVODEX.1-R1804

Full Reaction Rendering

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