EVODEX.1-P3917 - Partial Reaction

SMIRKS

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:8][C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]2:[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]:1:2>>[H][O:8][C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]2:[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]:1:2

Derived Operators

EVODEX.1-F143 - Elemental Balance

O	-1
C	-6
H	-10

EVODEX.1-M114 - Mass Difference

-98.0732

EVODEX.1-E799 - Reaction Operator E

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:8]-[#6:9])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:8](-[#6:9])-[H]

EVODEX.1-C500 - Reaction Operator C

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

EVODEX.1-N616 - Reaction Operator N

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:8]-[#6:9]>>[H]-[#8:8]-[#6:9]

EVODEX.1-Em10 - Reaction Operator Em

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm9 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4772

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