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EVODEX.1-P5801

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F37 - Elemental Balance

O-1
C-1

EVODEX.1-M56 - Mass Difference

-27.9949

EVODEX.1-E511 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#7:6](-[#6](=[#8])-[H])-[H:37])(-[#6:9])-[H:57]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57]

EVODEX.1-C689 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6@:5]

EVODEX.1-N850 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](=[#8])-[#7:4](-[#6:5](-[#6:6])(-[#6:10])-[H:24])-[H:25]>>[H]-[#7:4](-[#6@:5](-[#6:6])(-[#6:10])-[H:24])-[H:25]

EVODEX.1-Em88 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm124 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6](=[#8])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5]

Source Full Reactions

EVODEX.1-R6494

Full Reaction Rendering

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