EVODEX Logo

EVODEX.1-P5843

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E368 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C706 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N871 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em680 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm273 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm613 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6532

Full Reaction Rendering

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