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EVODEX.1-P3006

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([N:1]([H:20])[H:21])([C:3](=[O:4])[O:5][H:17])[H:18].[O:6]=[C:7]([O:8][H:22])[C:9](=[O:10])[C:11]([C:12]1:[C:13]([H:23]):[N:14]:[C:15]([H:24]):[N:16]:1[H:25])([H:26])[H:27]>>[N:1]([C@:2]([C:3](=[O:4])[O:5][H:17])([C:11]([C:12]1:[C:13]([H:23]):[N:14]:[C:15]([H:24]):[N:16]:1[H:25])([H:26])[H:27])[H:18])([H:20])[H:21].[H][C:9]([C:7](=[O:6])[O:8][H:22])=[O:10]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E281 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]-[#6:2](-[#6:3])(-[H:20])-[H].[#8:6]=[#6:7]-[#6:9](=[#8:10])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20].[#8:6]=[#6:7]-[#6:9](=[#8:10])-[H]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N555 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](-[#6:7](=[#8:8])-[#6:9])(-[H:18])-[H:19].[H]-[#6:13](-[#7:12])(-[#6:14])-[H:27]>>[#6:5]-[#6:6](-[#6@:13](-[#7:12])(-[#6:14])-[H:27])(-[H:18])-[H:19].[H]-[#6:7](=[#8:8])-[#6:9]

EVODEX.1-Em547 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]=[#8:10].[H]-[#6:13](-[#7:12])-[#6:14]>>[#6:5]-[#6:6]-[#6:13](-[#7:12])-[#6:14].[H]-[#6:7](=[#8:8])-[#6:9]=[#8:10]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm494 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9].[H]-[#6:13](-[#7:12])-[#6:14]>>[#6:5]-[#6:6]-[#6:13](-[#7:12])-[#6:14].[H]-[#6:7](=[#8:8])-[#6:9]

Source Full Reactions

EVODEX.1-R3670

Full Reaction Rendering

[H][C:2]([N:1]([H:20])[H:21])([C:3](=[O:4])[O:5][H:17])[H:18].[O:6]=[C:7]([O:8][H:22])[C:9](=[O:10])[C:11]([C:12]1:[C:13]([H:23]):[N:14]:[C:15]([H:24]):[N:16]:1[H:25])([H:26])[H:27]>>[N:1]([C@:2]([C:3](=[O:4])[O:5][H:17])([C:11]([C:12]1:[C:13]([H:23]):[N:14]:[C:15]([H:24]):[N:16]:1[H:25])([H:26])[H:27])[H:18])([H:20])[H:21].[H][C:9]([C:7](=[O:6])[O:8][H:22])=[O:10]