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EVODEX.1-P5804

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6497

Full Reaction Rendering

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