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EVODEX.1-P4551

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E193 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29].[#8:18](-[H:35])-[H]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8:18]-[H:35])-[H:21]

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-R5387

Full Reaction Rendering

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