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EVODEX.1-P639

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:5]([N:4]([C:2](=[N:1][H:39])[N:3]([H:26])[H:27])[H:38])([C:6]([C:7]([C@:8]([N:9]([H:28])[H:29])([C:10](=[O:11])[O:12][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36].[H]OC(=O)[C:19]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:20].[O:24]=[O:25]>>[H][O:24][C:5]([N:4]([C:2](=[N:1][H:39])[N:3]([H:26])[H:27])[H:38])([C:6]([C:7]([C@:8]([N:9]([H:28])[H:29])([C:10](=[O:11])[O:12][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36].[H][O:25][C:19]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:20]

Derived Operators

EVODEX.1-F55 - Elemental Balance

O-2
C-1

EVODEX.1-M14 - Mass Difference

-43.9898

EVODEX.1-E583 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:36])-[H].[#6:18]-[#6:19](=[#8:20])-[#6](=[#8])-[#8]-[H].[#8:24]=[#8:25]>>[#7:4]-[#6:5](-[#6:6])(-[#8:24]-[H])-[H:36].[#6:18]-[#6:19](=[#8:20])-[#8:25]-[H]

EVODEX.1-C55 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8]-[#6](=[#8])-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-N162 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#7:4])(-[#6:6])-[H:36].[H]-[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])(-[#6:6])-[H:36].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]

EVODEX.1-Em244 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#7:4])-[#6:6].[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])-[#6:6].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]

EVODEX.1-Cm92 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#6]-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm242 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#7:4])-[#6:6].[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])-[#6:6].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]

Source Full Reactions

EVODEX.1-R587

Full Reaction Rendering

[H][C:5]([N:4]([C:2](=[N:1][H:39])[N:3]([H:26])[H:27])[H:38])([C:6]([C:7]([C@:8]([N:9]([H:28])[H:29])([C:10](=[O:11])[O:12][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36].[H][O:23][C:21]([C:19]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:20])=[O:22].[O:24]=[O:25]>>[C:21](=[O:22])=[O:23].[H][O:24][C:5]([N:4]([C:2](=[N:1][H:39])[N:3]([H:26])[H:27])[H:38])([C:6]([C:7]([C@:8]([N:9]([H:28])[H:29])([C:10](=[O:11])[O:12][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36].[H][O:25][C:19]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:40])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[O:20]