EVODEX.1-P2904

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E200 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[H:12].[#7:5](-[#6:6](-[#6:7])(-[H:21])-[H])(-[H:23])-[H:24]>>[#6:2]-[#6:3](-[#7:5](-[H:23])-[H:24])(-[H:12])-[H].[#8:4]=[#6:6](-[#6:7])-[H:21]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N538 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](=[#8:6])-[H:14].[H]-[#6:8](-[#7:7](-[H:29])-[H:30])(-[#6:9])-[H:27]>>[H]-[#6:5](-[#6:4])(-[#7:7](-[H:29])-[H:30])-[H:14].[#8:6]=[#6:8](-[#6:9])-[H:27]

EVODEX.1-Em545 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5]=[#8:6].[H]-[#6:8](-[#7:7])-[#6:9]>>[H]-[#6:5](-[#6:4])-[#7:7].[#8:6]=[#6:8]-[#6:9]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm492 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]=[#8:6].[H]-[#6:8](-[#7:7])-[#6:9]>>[H]-[#6:5](-[#6:4])-[#7:7].[#8:6]=[#6:8]-[#6:9]

Source Full Reactions

EVODEX.1-R3586

Full Reaction Rendering

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