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EVODEX.1-P5844

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]1[C:4]([H:16])([H:17])[C:5]([C:6]2:[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]([H:21]):[C:11]:2[H:22])([H:23])[N:12]([H:24])[C:13](=[O:14])[N:15]1[H:25].[H][O:1][H:26]>>[H][N:15]([C:13]([N:12]([C:5]([C:4]([C:3]([O:1][H:26])=[O:2])([H:16])[H:17])([C:6]1:[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]([H:21]):[C:11]:1[H:22])[H:23])[H:24])=[O:14])[H:25]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E167 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68].[#8:32](-[H:69])-[H]>>([#8:32](-[#6:35](=[#8:34])-[#6:36])-[H:69].[#6:39]-[#7:43](-[H:68])-[H])

EVODEX.1-C925 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:35]-[#7:43].[H]-[#8:32]>>([H]-[#7:43].[#6:35]-[#8:32])

EVODEX.1-N1156 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68].[H]-[#8:32]-[H:69]>>([H]-[#7:43](-[#6:39])-[H:68].[#6:36]-[#6:35](-[#8:32]-[H:69])=[#8:34])

EVODEX.1-Em679 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39].[H]-[#8:32]>>([H]-[#7:43]-[#6:39].[#6:36]-[#6:35](-[#8:32])=[#8:34])

EVODEX.1-Cm272 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:35]-[#7:43].[H]-[#8:32]>>([H]-[#7:43].[#6:35]-[#8:32])

EVODEX.1-Nm612 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39].[H]-[#8:32]>>([H]-[#7:43]-[#6:39].[#6:36]-[#6:35](-[#8:32])=[#8:34])

Source Full Reactions

EVODEX.1-R6533

Full Reaction Rendering

[O:2]=[C:3]1[C:4]([H:16])([H:17])[C:5]([C:6]2:[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]([H:21]):[C:11]:2[H:22])([H:23])[N:12]([H:24])[C:13](=[O:14])[N:15]1[H:25].[H][O:1][H:26]>>[H][N:15]([C:13]([N:12]([C:5]([C:4]([C:3]([O:1][H:26])=[O:2])([H:16])[H:17])([C:6]1:[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]([H:21]):[C:11]:1[H:22])[H:23])[H:24])=[O:14])[H:25]