EVODEX Logo

EVODEX.1-P6469

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E376 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:42]>>[#6:1]-[#6:2](-[#6:3])(-[#6:4](-[#6:5])(-[H:42])-[H])-[#8]-[H]

EVODEX.1-C78 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]=[#6:4]>>[H]-[#8]-[#6:2]-[#6:4]-[H]

EVODEX.1-N1160 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4](-[#6:5])-[H:44]>>[H]-[#8]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[H])(-[#6:5])-[H:44]

EVODEX.1-Em764 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9]=[#6:10](-[#6:11])-[#6:12]>>[H]-[#8]-[#6:10](-[#6:9](-[H])-[#6:8])(-[#6:11])-[#6:12]

EVODEX.1-Cm111 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]=[#6:10]>>[#8]-[#6:10]-[#6:9]-[H]

EVODEX.1-Nm688 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9]=[#6:10](-[#6:11])-[#6:12]>>[H]-[#8]-[#6:10](-[#6:9](-[H])-[#6:8])(-[#6:11])-[#6:12]

Source Full Reactions

EVODEX.1-R7053

Full Reaction Rendering

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