EVODEX.1-P5746 - Partial Reaction

SMIRKS

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

Derived Operators

EVODEX.1-F347 - Elemental Balance

O	-1
C	-1
H	2

EVODEX.1-M150 - Mass Difference

-25.97924

EVODEX.1-E1137 - Reaction Operator E

[#8]-[#6](=[#8])-[#7:6](-[#6:7])-[H:19]>>[#8]-[H].[#7:6](-[#6:7])(-[H:19])-[H]

EVODEX.1-C686 - Reaction Operator C

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

EVODEX.1-N847 - Reaction Operator N

[#8]=[#6](-[#8])-[#7:7](-[#6@@:6])-[H:29]>>[H]-[#8].[H]-[#7:7](-[#6@@:6])-[H:29]

EVODEX.1-Em128 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm162 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R6448

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