EVODEX.1-P4566

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]1:[C:4]([H:21]):[C:5]([H:22]):[C:6]([C@@:7]2([H:23])[O:8][C@:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:2[H:32])[H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[H][O:8][C@:7]([C:6]1:[C:5]([H:22]):[C:4]([H:21]):[C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37]):[C:19]([H:35]):[C:18]:1[H:34])([C@:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:1[H:32])([O:20][H:41])[H:33])[H:23]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E105 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9]1-[#6@@:8]-[#6@@:10]-1(-[#6:11])-[H:40].[#8:22](-[H:47])-[H]>>[#8:9](-[#6@@:8]-[#6@:10](-[#6:11])(-[#8:22]-[H:47])-[H:40])-[H]

EVODEX.1-C1005 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:8]1-[#6@@:7]-[#6@:9]-1.[H]-[#8:20]>>[H]-[#8:8]-[#6@:7]-[#6@:9]-[#8:20]

EVODEX.1-N1252 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6@@:7]1(-[H:23])-[#8:8]-[#6@:9]-1(-[#6:10])-[H:33].[H]-[#8:20]-[H:41]>>[H]-[#8:8]-[#6@:7](-[#6:6])(-[#6@:9](-[#6:10])(-[#8:20]-[H:41])-[H:33])-[H:23]

EVODEX.1-Em126 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

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-Nm160 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

Source Full Reactions

EVODEX.1-R5401

Full Reaction Rendering

[C:1]([C:2]([C:3]1:[C:4]([H:21]):[C:5]([H:22]):[C:6]([C@@:7]2([H:23])[O:8][C@:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:2[H:32])[H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[H][O:8][C@:7]([C:6]1:[C:5]([H:22]):[C:4]([H:21]):[C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37]):[C:19]([H:35]):[C:18]:1[H:34])([C@:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:1[H:32])([O:20][H:41])[H:33])[H:23]