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EVODEX.1-P6275

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2](=[O:1])[C:3]1:[C:4]([H:45]):[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[O:9][C:10]([C:11]([C:12]([O:13][C:14]1:[C:15]([H:49]):[C:16]([H:50]):[C:17]([Cl:18]):[C:19]([H:51]):[C:20]:1[C:21](=[O:22])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58].[H][C:43]([C:42]1:[C:36]([O:35][C:34]([C:33]([C:32]([O:31][C:30]2:[C:25]([C:24](=[O:23])[H:74]):[C:26]([H:60]):[C:27]([H:61]):[C:28]([H:62]):[C:29]:2[H:63])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69]):[C:37]([H:64]):[C:38]([H:65]):[C:39]([Cl:40]):[C:41]:1[H:66])=[O:44]>>[H][O:22][C@@:21]1([H:52])[C:2](=[O:1])[C:3]2:[C:4]([H:45]):[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:2[O:9][C:10]([H:57])([H:58])[C:11]([H:55])([H:56])[C:12]([H:53])([H:54])[O:13][C:14]2:[C:15]([H:49]):[C:16]([H:50]):[C:17]([Cl:18]):[C:19]([H:51]):[C:20]:21.[H][O:23][C@:24]1([H:74])[C:25]2:[C:26]([H:60]):[C:27]([H:61]):[C:28]([H:62]):[C:29]([H:63]):[C:30]:2[O:31][C:32]([H:72])([H:73])[C:33]([H:70])([H:71])[C:34]([H:68])([H:69])[O:35][C:36]2:[C:37]([H:64]):[C:38]([H:65]):[C:39]([Cl:40]):[C:41]([H:66]):[C:42]:2[C:43]1=[O:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E69 - Reaction Operator E

Reaction Operator E SMIRKS

([#8:1]=[#6:2](-[#6:3])-[H].[#6:20]-[#6:21](=[#8:22])-[H:52])>>[#8:1]=[#6:2](-[#6:3])-[#6@@:21](-[#6:20])(-[#8:22]-[H])-[H:52]

EVODEX.1-C730 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:2].[#6:21]=[#8:22]).([H]-[#6:43].[#6:24]=[#8:23])>>[H]-[#8:22]-[#6@@:21]-[#6:2].[H]-[#8:23]-[#6@:24]-[#6:43]

EVODEX.1-N934 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21](=[#8:22])-[H:52]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24](=[#8:23])-[H:74])>>[H]-[#8:22]-[#6@@:21](-[H:52])(-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6@:24](-[H:74])(-[#6:25])-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Em741 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21]=[#8:22]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21](-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6:24](-[#6:25])-[#6:43](-[#6:42])=[#8:44]

EVODEX.1-Cm286 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:2].[#6:21]=[#8:22]).([H]-[#6:43].[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21]-[#6:2].[H]-[#8:23]-[#6:24]-[#6:43]

EVODEX.1-Nm670 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#6:2](=[#8:1])-[#6:3].[#6:20]-[#6:21]=[#8:22]).([H]-[#6:43](-[#6:42])=[#8:44].[#6:25]-[#6:24]=[#8:23])>>[H]-[#8:22]-[#6:21](-[#6:2](=[#8:1])-[#6:3])-[#6:20].[H]-[#8:23]-[#6:24](-[#6:25])-[#6:43](-[#6:42])=[#8:44]

Source Full Reactions

EVODEX.1-R6879

Full Reaction Rendering

[H][C:2](=[O:1])[C:3]1:[C:4]([H:45]):[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:1[O:9][C:10]([C:11]([C:12]([O:13][C:14]1:[C:15]([H:49]):[C:16]([H:50]):[C:17]([Cl:18]):[C:19]([H:51]):[C:20]:1[C:21](=[O:22])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58].[H][C:43]([C:42]1:[C:36]([O:35][C:34]([C:33]([C:32]([O:31][C:30]2:[C:25]([C:24](=[O:23])[H:74]):[C:26]([H:60]):[C:27]([H:61]):[C:28]([H:62]):[C:29]:2[H:63])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69]):[C:37]([H:64]):[C:38]([H:65]):[C:39]([Cl:40]):[C:41]:1[H:66])=[O:44]>>[H][O:22][C@@:21]1([H:52])[C:2](=[O:1])[C:3]2:[C:4]([H:45]):[C:5]([H:46]):[C:6]([H:47]):[C:7]([H:48]):[C:8]:2[O:9][C:10]([H:57])([H:58])[C:11]([H:55])([H:56])[C:12]([H:53])([H:54])[O:13][C:14]2:[C:15]([H:49]):[C:16]([H:50]):[C:17]([Cl:18]):[C:19]([H:51]):[C:20]:21.[H][O:23][C@:24]1([H:74])[C:25]2:[C:26]([H:60]):[C:27]([H:61]):[C:28]([H:62]):[C:29]([H:63]):[C:30]:2[O:31][C:32]([H:72])([H:73])[C:33]([H:70])([H:71])[C:34]([H:68])([H:69])[O:35][C:36]2:[C:37]([H:64]):[C:38]([H:65]):[C:39]([Cl:40]):[C:41]([H:66]):[C:42]:2[C:43]1=[O:44]