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EVODEX.1-P4093

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E358 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[#6@:8]>>[#8](-[#6@@:6](-[#6@:5])(-[H:32])-[#6@@:13])-[H].[#8:7](-[#6@:8])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#8:4]>>[H]-[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-N1367 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:12](-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44])-[#6:13]>>[H]-[#8]-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44].[H]-[#8:12]-[#6:13]

EVODEX.1-Em116 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm150 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:27]-[#6:36](-[#6:34])-[#8:37]-[#6:38]>>[H]-[#8]-[#6:36](-[#6:27])-[#6:34].[H]-[#8:37]-[#6:38]

Source Full Reactions

EVODEX.1-R4935

Full Reaction Rendering

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