EVODEX.1-P177

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E324 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:26](-[#6@:25](-[#6@:23])(-[H])-[#6@@:27])-[H].[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1>>[#6:25](-[#6@:23])(=[#8:26])-[#6@@:27].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#7:6](-[#6:7])-[H]):[#6:16]:[#6:17]: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-N97 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6@@:4](-[#6:2])(-[#8:5]-[H])-[#6@@:6]>>[#6:2]-[#6:4](=[#8:5])-[#6@@:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em182 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:37](-[#8:38]-[H])(-[#6:28])-[#6:35].[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#7:6]-[#6:7])-[#6:16]=[#6:17]-1>>[#6:28]-[#6:37](-[#6:35])=[#8:38].[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-Nm95 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R222

Full Reaction Rendering

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