EVODEX Logo

EVODEX.1-P6327

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E251 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:33])-[H:34].[#8:1](-[H])-[H]>>[#8:1]=[#6:8](-[#6:9])-[H:33].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7](-[H:34])(-[H])-[H]

EVODEX.1-C737 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]=[#6:8].[H]-[#8:1]-[H]>>[#8:1]=[#6:8].[H]-[#6:7]-[H]

EVODEX.1-N943 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:7](=[#6:8](-[#6:9])-[H:22])-[H:23].[H]-[#8:1]-[H]>>[#8:1]=[#6:8](-[#6:9])-[H:22].[H]-[#6:7](-[H])(-[#6:5])-[H:23]

EVODEX.1-Em751 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-[#6:9].[H]-[#8:1]-[H]>>[#8:1]=[#6:8]-[#6:9].[H]-[#6:7](-[H])-[#6:5](-[#6:3]=[#8:2])=[#8:6]

EVODEX.1-Cm292 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]=[#6:8].[H]-[#8:1]-[H]>>[#8:1]=[#6:8].[H]-[#6:7]-[H]

EVODEX.1-Nm680 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:7]=[#6:8]-[#6:9].[H]-[#8:1]-[H]>>[#8:1]=[#6:8]-[#6:9].[H]-[#6:7](-[H])-[#6:5]

Source Full Reactions

EVODEX.1-R6925

Full Reaction Rendering

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