EVODEX Logo

EVODEX.1-P4100

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([H:11])([H:12])[H:13])([C:8]([H:14])([H:15])[H:16])[C:9]([H:17])([H:18])[H:19])[H:20])([H:21])[H:22].[H][O:10][H:23]>>[C:1](=[C:2]([O:10][H:23])[H:20])([H:21])[H:22].[H][O:3][C:4](=[O:5])[C:6]([C:7]([H:11])([H:12])[H:13])([C:8]([H:14])([H:15])[H:16])[C:9]([H:17])([H:18])[H:19]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E128 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:27].[#8:17](-[H:30])-[H]>>[#6:1]=[#6:2](-[#8:17]-[H:30])-[H:27].[#8:3](-[#6:4])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N623 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:18].[H]-[#8:12]-[H:21]>>[#6:1]=[#6:2](-[#8:12]-[H:21])-[H:18].[H]-[#8:3]-[#6:4]

EVODEX.1-Em594 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4].[H]-[#8:12]>>[#6:1]=[#6:2]-[#8:12].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm532 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4].[H]-[#8:12]>>[#6:1]=[#6:2]-[#8:12].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4941

Full Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([H:11])([H:12])[H:13])([C:8]([H:14])([H:15])[H:16])[C:9]([H:17])([H:18])[H:19])[H:20])([H:21])[H:22].[H][O:10][H:23]>>[C:1](=[C:2]([O:10][H:23])[H:20])([H:21])[H:22].[H][O:3][C:4](=[O:5])[C:6]([C:7]([H:11])([H:12])[H:13])([C:8]([H:14])([H:15])[H:16])[C:9]([H:17])([H:18])[H:19]