EVODEX.1-P5833

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6523

Full Reaction Rendering

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