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EVODEX.1-P4044

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C(=O)[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][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]

Derived Operators

EVODEX.1-F98 - Elemental Balance

C-2
O-1
H-2

EVODEX.1-M186 - Mass Difference

-42.01056

EVODEX.1-E474 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#8:4]-[#6:5])(-[H])(-[H])-[H]>>[#8:4](-[#6:5])-[H]

EVODEX.1-C505 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:4]>>[H]-[#8:4]

EVODEX.1-N624 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8:4]-[#6:5]>>[H]-[#8:4]-[#6:5]

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4887

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:28][H:51])([H:48])([H:49])[H:50].[H][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]