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EVODEX.1-P3168

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R3816

Full Reaction Rendering

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