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EVODEX.1-P2822

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E249 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#6:13](=[#8:14])-[H:31].[#7:17](-[#6@@:18](-[#6:19])(-[#6:23]=[#8:24])-[H])(-[H:41])-[H:42]>>[#6:12]-[#6:13](-[#7:17](-[H:41])-[H:42])(-[H:31])-[H].[#8:14]=[#6:18](-[#6:19])-[#6:23]=[#8:24]

EVODEX.1-C1283 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:8]=[#8:9].[#6@@:5]).[H]-[#6@:14]-[#7:13]>>([H]-[#6:8]-[#7:13].[#6@:5]).[#8:9]=[#6:14]

EVODEX.1-N1599 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:4]-[#6@@:5](-[#6:6]-[#6:7]-[#6:8](=[#8:9])-[H:23])(-[#6:10])-[H:29].[H]-[#6@:14](-[#7:13](-[H:41])-[H:42])(-[#6:15])-[#6:20]>>[H]-[#6:8](-[#6:7]-[#6:6]-[#6@:5](-[#7:4])(-[#6:10])-[H:29])(-[#7:13](-[H:41])-[H:42])-[H:23].[#8:9]=[#6:14](-[#6:15])-[#6:20]

EVODEX.1-Em537 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#6:1])(-[#7:3])-[#6:4]=[#8:5].[#8:7]=[#6:8]-[#6:9]>>[#6:1]-[#6:2](-[#6:4]=[#8:5])=[#8:7].[H]-[#6:8](-[#7:3])-[#6:9]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm140 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10].[#8:13]=[#6:14]-[#6:15]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1])-[#6:15]

Source Full Reactions

EVODEX.1-R3520

Full Reaction Rendering

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