EVODEX.1-P3205 - Partial Reaction

SMIRKS

[H][C@:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:21])([H:22])[H:23])[H:30])([H:28])[H:29])([N:6]([H:24])[H:25])[C:7](=[O:8])[O:9][H:26]>>O=[C:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:21])([H:22])[H:23])[H:30])([H:28])[H:29])[C:7](=[O:8])[O:9][H:26].[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:6]([H:24])[H:25]

Derived Operators

EVODEX.1-F149 - Elemental Balance

C	6
O	5
H	8

EVODEX.1-M250 - Mass Difference

160.03713999999997

EVODEX.1-E812 - Reaction Operator E

[#6:2]-[#6@@:4](-[#7:5](-[H:23])-[H:24])(-[#6:6]=[#8:7])-[H]>>[#6:2]-[#6:4](-[#6:6]=[#8:7])=[#8].[#7:5](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:23])-[H:24]

EVODEX.1-C467 - Reaction Operator C

[H]-[#6@:4]-[#7:5]>>[#8]=[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5]

EVODEX.1-N567 - Reaction Operator N

[H]-[#6@:4](-[#6:2])(-[#7:5](-[H:23])-[H:24])-[#6:6]>>[#8]=[#6:4](-[#6:2])-[#6:6].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5](-[H:23])-[H:24]

EVODEX.1-Em17 - Reaction Operator Em

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

EVODEX.1-Cm20 - Reaction Operator Cm

[H]-[#6:39]-[#7:40]>>[#8]=[#6:39].[#6]-[#7:40]

EVODEX.1-Nm13 - Reaction Operator Nm

[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]

Source Full Reactions

EVODEX.1-R3842

[H][C@:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:21])([H:22])[H:23])[H:30])([H:28])[H:29])([N:6]([H:24])[H:25])[C:7](=[O:8])[O:9][H:26].[O:10]=[C:11]([O:12][H:34])[C:13]([C:14]([C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])([C:4]([C:5]([C:7](=[O:8])[O:9][H:26])=[O:17])([H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][C:16]([N:6]([H:24])[H:25])([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:34])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])[C:18](=[O:19])[O:20][H:35]