EVODEX.1-P2146

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:21])[H:22])([C:8](=[O:9])[N:10]([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]2:[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]([H:28]):[C:19]:2:[C:20]:1[H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]>>[H][N:7]([H:21])[H:22].[N:1]1([H:36])[C:2](=[O:3])[C:4]([H:34])([H:35])[C:5]([H:32])([H:33])[C@@:6]1([C:8](=[O:9])[N:10]([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]2:[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]([H:28]):[C:19]:2:[C:20]:1[H:29])[H:30])[H:31]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E67 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:8](-[#6@@:7])(-[H:19])-[H].[#7:15](-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34])(-[H:31])-[H:32])>>[#7:8](-[#6@@:7])(-[H:19])-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34].[#7:15](-[H:31])(-[H:32])-[H]

EVODEX.1-C184 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:1].[#6:5]-[#7:7])>>[H]-[#7:7].[#7:1]-[#6:5]

EVODEX.1-N1089 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:1](-[#6:2])-[H:57].[#6:5]-[#6@:6](-[#7:7](-[H:32])-[H:33])(-[#6:8])-[H:52])>>[H]-[#7:7](-[H:32])-[H:33].[#7:1](-[H:57])(-[#6:2])-[#6@@:6](-[#6:5])(-[#6:8])-[H:52]

EVODEX.1-Em472 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm423 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

Source Full Reactions

EVODEX.1-R2896

Full Reaction Rendering

[H][N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:21])[H:22])([C:8](=[O:9])[N:10]([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]2:[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]([H:28]):[C:19]:2:[C:20]:1[H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36]>>[H][N:7]([H:21])[H:22].[N:1]1([H:36])[C:2](=[O:3])[C:4]([H:34])([H:35])[C:5]([H:32])([H:33])[C@@:6]1([C:8](=[O:9])[N:10]([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]2:[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]([H:28]):[C:19]:2:[C:20]:1[H:29])[H:30])[H:31]