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EVODEX.1-P4079

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C(=O)[O:4][C@:5]1([H:24])[C@:6]([O:7][H:25])([H:26])[C@@:8]([O:9][C:10]2:[C:11]([H:27]):[C:12]([H:28]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:29]):[C:18]:2[H:30])([H:31])[O:19][C:20]([H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]>>[H][O:4][C@:5]1([H:24])[C@:6]([O:7][H:25])([H:26])[C@@:8]([O:9][C:10]2:[C:11]([H:27]):[C:12]([H:28]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:29]):[C:18]:2[H:30])([H:31])[O:19][C:20]([H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]

Derived Operators

EVODEX.1-F31 - Elemental Balance

O-1
C-2
H-2

EVODEX.1-M82 - 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-R4923

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:24])[C@:6]([O:7][H:25])([H:26])[C@@:8]([O:9][C:10]2:[C:11]([H:27]):[C:12]([H:28]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:29]):[C:18]:2[H:30])([H:31])[O:19][C:20]([H:32])([H:33])[C@:21]1([O:22][H:34])[H:35])([H:36])([H:37])[H:38].[H][O:23][H:39]>>[C:1]([C:2](=[O:3])[O:23][H:39])([H:36])([H:37])[H:38].[H][O:4][C@:5]1([H:24])[C@:6]([O:7][H:25])([H:26])[C@@:8]([O:9][C:10]2:[C:11]([H:27]):[C:12]([H:28]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:29]):[C:18]:2[H:30])([H:31])[O:19][C:20]([H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]