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EVODEX.1-P4154

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4991

Full Reaction Rendering

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