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EVODEX.1-P5779

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E253 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:14].[#6:8]-[#6@@:9](-[#7:10](-[H:18])-[H])(-[#6:11])-[H:21]>>[#6:1]-[#6:2](=[#8:3])-[#7:10](-[#6@:9](-[#6:8])(-[#6:11])-[H:21])-[H:18].[#8:4](-[H:14])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4].[H]-[#7:19]-[#6:18]>>[#6:1]-[#6:2](=[#8:3])-[#7:19]-[#6:18].[H]-[#8:4]

Source Full Reactions

EVODEX.1-R6474

Full Reaction Rendering

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