EVODEX.1-P6581

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E122 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2](-[#6:3](-[#8:4]-[H])(-[H:20])-[H])-[#6@:5]>>[#8:1](-[#6@@:2](-[#6:3](=[#8:4])-[H:20])(-[#6@:5])-[H])-[H]

EVODEX.1-C146 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N971 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6:2](=[#8:1])-[#6@:5])(-[#8:4]-[H])-[H:20]>>[H]-[#8:1]-[#6@@:2](-[H])(-[#6:3](=[#8:4])-[H:20])-[#6@:5]

EVODEX.1-Em788 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm163 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm709 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7162

Full Reaction Rendering

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