EVODEX.1-P152

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E327 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3]-[#6:4](-[#8:5]-[H])(-[H])-[#6@@:6].[#8:12]=[#6:13]1-[#6:14]=[#6:15]-[#6:16](=[#7:17]-[#6:18])-[#6:27]=[#6:28]-1>>[#8:3]-[#6:4](=[#8:5])-[#6@@:6].[#8:12](-[#6:13]1:[#6:14]:[#6:15]:[#6:16](-[#7:17](-[#6:18])-[H]):[#6:27]:[#6:28]:1)-[H]

EVODEX.1-C82 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-N1473 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).[H]-[#8:18]-[#6:19](-[H])(-[#8:20])-[#6@:26]>>[#8:18]=[#6:19](-[#8:20])-[#6@:26].([H]-[#8:1]-[#6:2].[#6:5]-[#7:6](-[H])-[#6:7])

EVODEX.1-Em191 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1.[H]-[#6:50](-[#8:51]-[H])(-[#6:48])-[#8:52]>>[#6:48]-[#6:50](=[#8:51])-[#8:52].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#7:6](-[H])-[#6:7]):[#6:16]:[#6:17]:1

EVODEX.1-Cm75 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-Nm194 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#7:6]-[#6:7]).[H]-[#6:50](-[#8:51]-[H])(-[#6:48])-[#8:52]>>[#6:48]-[#6:50](=[#8:51])-[#8:52].([H]-[#8:1]-[#6:2].[#6:5]-[#7:6](-[H])-[#6:7])

Source Full Reactions

EVODEX.1-R197

Full Reaction Rendering

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