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EVODEX.1-P1089

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E416 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H]>>[#6:1]-[#6:2](=[#8])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H]

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-N187 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:13](-[#6:12])(-[#7:14](-[#6:15])-[H:55])-[H:56]>>[#8]=[#6:13](-[#6:12])-[H:56].[H]-[#7:14](-[#6:15])-[H:55]

EVODEX.1-Em269 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-Nm267 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]

Source Full Reactions

EVODEX.1-R1027

Full Reaction Rendering

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