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EVODEX.1-P3091

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N76 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10].[#8:13]=[#6:14](-[#6:15])-[H:38]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1](-[H:31])-[H:32])(-[#6:15])-[H:38]

EVODEX.1-Em551 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]=[#8:11].[#8:13]=[#6:14]-[#6:15]=[#8:16]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8:13].[H]-[#6:14](-[#7:1])-[#6:15]=[#8:16]

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-R3758

Full Reaction Rendering

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