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EVODEX.1-P1168

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F91 - Elemental Balance

C-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E663 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#7:2](-[#6:3])-[H:24])(-[H])(-[H])-[H].[#8:13]=[#8:14]>>[#7:2](-[#6:3])(-[H:24])-[H].[#8:13](-[#8:14]-[H])-[H]

EVODEX.1-C248 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N261 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#7:6](-[#6@@:5])-[H:17].[#8:12]=[#8:13]>>[H]-[#7:6](-[#6@@:5])-[H:17].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Em382 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm132 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:6].[#8:12]=[#8:13]>>[H]-[#7:6].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Nm342 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1096

Full Reaction Rendering

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