EVODEX Logo

EVODEX.1-P3981

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E109 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22].[#8:24](-[H:56])-[H]>>([#6:19]-[#6:20](-[#8:24]-[H:56])(-[H:28])-[H:29].[#6:22]-[#8:21]-[H])

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N637 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[H:29])(-[H:30])-[#8:21]-[#6:22].[H]-[#8:24]-[H:58]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20](-[#8:24]-[H:58])(-[H:29])-[H:30])

EVODEX.1-Em604 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#6:22].[H]-[#8:24]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20]-[#8:24])

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm540 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#6:22].[H]-[#8:24]>>([H]-[#8:21]-[#6:22].[#6:19]-[#6:20]-[#8:24])

Source Full Reactions

EVODEX.1-R4829

Full Reaction Rendering

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