EVODEX.1-P4098

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55].[H][O:21][H:56]>>[C:1](=[C:2]([O:21][H:56])[H:53])([H:54])[H:55].[H][O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52]

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-R4939

Full Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55].[H][O:21][H:56]>>[C:1](=[C:2]([O:21][H:56])[H:53])([H:54])[H:55].[H][O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52]