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EVODEX.1-P6271

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E69 - Reaction Operator E

Reaction Operator E SMIRKS

([#8:1]=[#6:2](-[#6:3])-[H].[#6:20]-[#6:21](=[#8:22])-[H:52])>>[#8:1]=[#6:2](-[#6:3])-[#6@@:21](-[#6:20])(-[#8:22]-[H])-[H:52]

EVODEX.1-C730 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:2].[#6:21]=[#8:22]).([H]-[#6:43].[#6:24]=[#8:23])>>[H]-[#8:22]-[#6@@:21]-[#6:2].[H]-[#8:23]-[#6@:24]-[#6:43]

EVODEX.1-N934 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21](=[#8:22])-[H:52]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24](=[#8:23])-[H:74])>>[H]-[#8:22]-[#6@@:21](-[H:52])(-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6@:24](-[H:74])(-[#6:25])-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Em741 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21]=[#8:22]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21](-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6:24](-[#6:25])-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Cm286 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:2].[#6:21]=[#8:22]).([H]-[#6:43].[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21]-[#6:2].[H]-[#8:23]-[#6:24]-[#6:43]

EVODEX.1-Nm670 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21]=[#8:22]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21](-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6:24](-[#6:25])-[#6:43](-[#6:42])=[#8:44]

Source Full Reactions

EVODEX.1-R6875

Full Reaction Rendering

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