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EVODEX.1-P3927

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F100 - Elemental Balance

O-1
C-5
H-8

EVODEX.1-M230 - Mass Difference

-84.05754

EVODEX.1-E685 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:7]-[#6:8])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6:8])-[H]

EVODEX.1-C502 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:7]>>[H]-[#8:7]

EVODEX.1-N619 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:7]-[#6:8]>>[H]-[#8:7]-[#6:8]

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-R4781

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][C@:8]([C:9]([N:10]([C:11]([C:12]([H:27])([H:28])[H:29])([C:13]([H:30])([H:31])[H:32])[H:33])[H:34])([H:35])[H:36])([C:14]([O:15][C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]2:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:1:2)([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:26][H:56]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:26][H:56])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:7][C@:8]([C:9]([N:10]([C:11]([C:12]([H:27])([H:28])[H:29])([C:13]([H:30])([H:31])[H:32])[H:33])[H:34])([H:35])[H:36])([C:14]([O:15][C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]2:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:1:2)([H:44])[H:45])[H:46]