EVODEX.1-P3897 - Partial Reaction

SMIRKS

[H]C([H])([H])C(=O)O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([O:13][H:34])([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]

Derived Operators

EVODEX.1-F66 - Elemental Balance

C	-2
O	-2
H	-4

EVODEX.1-M183 - Mass Difference

-60.02112

EVODEX.1-E611 - Reaction Operator E

[#6:9]-[#6:11](-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])(-[H:54])-[H:55].[#8:47](-[H:89])-[H]>>[#6:9]-[#6:11](-[#8:47]-[H:89])(-[H:54])-[H:55]

EVODEX.1-C171 - Reaction Operator C

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11].[H]-[#8:28]>>[#8:28]-[#6@:11]

EVODEX.1-N1118 - Reaction Operator N

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:16](-[#6:15])(-[H:25])-[H:26].[H]-[#8:21]-[H:58]>>[#6:15]-[#6:16](-[#8:21]-[H:58])(-[H:25])-[H:26]

EVODEX.1-Em69 - Reaction Operator Em

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

EVODEX.1-Cm6 - Reaction Operator Cm

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm83 - Reaction Operator Nm

[#6]-[#8]-[#6:20]-[#6:19].[H]-[#8:50]>>[#6:19]-[#6:20]-[#8:50]

Source Full Reactions

EVODEX.1-R4755

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([O:9][C:10]([C:11]([H:14])([H:15])[H:16])=[O:12])([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][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([O:13][H:34])([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][O:9][C:10]([C:11]([H:14])([H:15])[H:16])=[O:12]