EVODEX.1-P126 - Partial Reaction

SMIRKS

[N:1]([C:2]1:[N:3]:[C:4]([H:22]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:23]):[N:10]:2[C@:11]1([H:24])[O:12][C@@:13]([C:14](=[O:15])[H:25])([H:26])[C@:16]([O:17][H:27])([H:28])[C@@:18]1([O:19][H:29])[H:30])([H:31])[H:32]>>[H][C:14]([C@@:13]1([H:26])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:22]):[N:3]:[C:2]([N:1]([H:31])[H:32]):[C:7]:3:[N:8]:[C:9]:2[H:23])([H:24])[C@:18]([O:19][H:29])([H:30])[C@@:16]1([O:17][H:27])[H:28])([O:15][H])[H:25]

Derived Operators

EVODEX.1-F2 - Elemental Balance

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E3 - Reaction Operator E

[#8:45]=[#6:46](-[#6:47])-[H:93]>>[#8:45](-[#6:46](-[#6:47])(-[H:93])-[H])-[H]

EVODEX.1-C1039 - Reaction Operator C

([#6:14]=[#8:15].[#6@:16]-[#6@@:18])>>([H]-[#6:14]-[#8:15]-[H].[#6@:18]-[#6@@:16])

EVODEX.1-N1464 - Reaction Operator N

[#6:14](-[#6@@:13]-[#6@:16](-[#8:17])(-[H:28])-[#6@@:18](-[#6@:11])(-[#8:19])-[H:30])(=[#8:15])-[H:25]>>[H]-[#6:14](-[#6@@:13]-[#6@:16](-[#6@@:18](-[#6@:11])(-[#8:19])-[H:30])(-[#8:17])-[H:28])(-[#8:15]-[H])-[H:25]

EVODEX.1-Em78 - Reaction Operator Em

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R166

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