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EVODEX.1-P852

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E56 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5](=[#8:6])-[#6@@:7](-[#6:8](-[#6:9])(-[H:26])-[H])(-[H])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15]

EVODEX.1-C34 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]-[#6@:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-N1504 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em322 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#7:7])-[#6:12]=[#8:13]>>[#6:4]-[#6:5]=[#6:6](-[#7:7])-[#6:12]=[#8:13]

EVODEX.1-Cm61 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]-[#6:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-Nm732 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R819

Full Reaction Rendering

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