EVODEX Logo

EVODEX.1-P6441

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C@@:10]([C:9]([H])([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])[H:42])[H:41])([H:39])[H:40])[H:37])([C:12]([C:13](=[C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:12]([C:13](=[C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][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: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]

Derived Operators

EVODEX.1-F33 - Elemental Balance

O-1
H-2

EVODEX.1-M4 - Mass Difference

-18.010559999999998

EVODEX.1-E487 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#6@@:8](-[#8]-[H])(-[#6:10])-[H:36])(-[H:37])-[H]>>[#6:6]-[#6:7](=[#6:8](-[#6:10])-[H:36])-[H:37]

EVODEX.1-C145 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@:6]-[#6:5]-[H]>>[#6:5]=[#6:6]

EVODEX.1-N62 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@:6](-[#6:5](-[H])(-[#6:4])-[H:35])(-[#6:8])-[H:34]>>[#6:4]-[#6:5](=[#6:6](-[#6:8])-[H:34])-[H:35]

EVODEX.1-Em759 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm162 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#6:6]-[#6:5]-[H]>>[#6:5]=[#6:6]

EVODEX.1-Nm169 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7026

Full Reaction Rendering

[H][C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])[H:42])[H:41])([H:39])[H:40])([C@:10]([O:11][H:22])([C:12]([C:13](=[C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:12]([C:13](=[C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][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: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][O:11][H:22]