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EVODEX.1-P6272

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2](=[O:1])[C:3]1:[C:4]([H:43]):[C:5]([H:44]):[C:6]([H:45]):[C:7]([H:46]):[C:8]:1[O:9][C:10]([C:11]([C:12]([O:13][C:14]1:[N:15]:[C:16]([H:47]):[C:17]([H:48]):[C:18]([H:49]):[C:19]:1[C:20](=[O:21])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[H][C:41]([C:40]1:[C:35]([O:34][C:33]([C:32]([C:31]([O:30][C:29]2:[C:24]([C:23](=[O:22])[H:72]):[C:25]([H:58]):[C:26]([H:59]):[C:27]([H:60]):[C:28]:2[H:61])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67]):[N:36]:[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])=[O:42]>>[H][O:21][C@@:20]1([H:50])[C:2](=[O:1])[C:3]2:[C:4]([H:43]):[C:5]([H:44]):[C:6]([H:45]):[C:7]([H:46]):[C:8]:2[O:9][C:10]([H:55])([H:56])[C:11]([H:53])([H:54])[C:12]([H:51])([H:52])[O:13][C:14]2:[N:15]:[C:16]([H:47]):[C:17]([H:48]):[C:18]([H:49]):[C:19]:21.[H][O:22][C@:23]1([H:72])[C:24]2:[C:25]([H:58]):[C:26]([H:59]):[C:27]([H:60]):[C:28]([H:61]):[C:29]:2[O:30][C:31]([H:70])([H:71])[C:32]([H:68])([H:69])[C:33]([H:66])([H:67])[O:34][C:35]2:[N:36]:[C:37]([H:62]):[C:38]([H:63]):[C:39]([H:64]):[C:40]:2[C:41]1=[O:42]

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-R6876

Full Reaction Rendering

[H][C:2](=[O:1])[C:3]1:[C:4]([H:43]):[C:5]([H:44]):[C:6]([H:45]):[C:7]([H:46]):[C:8]:1[O:9][C:10]([C:11]([C:12]([O:13][C:14]1:[N:15]:[C:16]([H:47]):[C:17]([H:48]):[C:18]([H:49]):[C:19]:1[C:20](=[O:21])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[H][C:41]([C:40]1:[C:35]([O:34][C:33]([C:32]([C:31]([O:30][C:29]2:[C:24]([C:23](=[O:22])[H:72]):[C:25]([H:58]):[C:26]([H:59]):[C:27]([H:60]):[C:28]:2[H:61])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67]):[N:36]:[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])=[O:42]>>[H][O:21][C@@:20]1([H:50])[C:2](=[O:1])[C:3]2:[C:4]([H:43]):[C:5]([H:44]):[C:6]([H:45]):[C:7]([H:46]):[C:8]:2[O:9][C:10]([H:55])([H:56])[C:11]([H:53])([H:54])[C:12]([H:51])([H:52])[O:13][C:14]2:[N:15]:[C:16]([H:47]):[C:17]([H:48]):[C:18]([H:49]):[C:19]:21.[H][O:22][C@:23]1([H:72])[C:24]2:[C:25]([H:58]):[C:26]([H:59]):[C:27]([H:60]):[C:28]([H:61]):[C:29]:2[O:30][C:31]([H:70])([H:71])[C:32]([H:68])([H:69])[C:33]([H:66])([H:67])[O:34][C:35]2:[N:36]:[C:37]([H:62]):[C:38]([H:63]):[C:39]([H:64]):[C:40]:2[C:41]1=[O:42]