EVODEX.1-P3881 - Partial Reaction

SMIRKS

[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:20][C:21]1:[C:22]([H:32]):[C:23]([H:33]):[C:24]([H:34]):[C:25]2:[C:26]([H:35]):[C:27]([H:36]):[C:28]([H:37]):[C:29]([H:38]):[C:30]:1:2>>[H][O:20][C:21]1:[C:22]([H:32]):[C:23]([H:33]):[C:24]([H:34]):[C:25]2:[C:26]([H:35]):[C:27]([H:36]):[C:28]([H:37]):[C:29]([H:38]):[C:30]:1:2

Derived Operators

EVODEX.1-F128 - Elemental Balance

O	-1
C	-18
H	-32

EVODEX.1-M244 - Mass Difference

-264.24546

EVODEX.1-E769 - Reaction Operator E

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

EVODEX.1-C287 - Reaction Operator C

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

EVODEX.1-N322 - Reaction Operator N

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-R4741

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]1:[C:22]([H:32]):[C:23]([H:33]):[C:24]([H:34]):[C:25]2:[C:26]([H:35]):[C:27]([H:36]):[C:28]([H:37]):[C:29]([H:38]):[C:30]:1:2)([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[H][O:31][H:72]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:31][H:72])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[H][O:20][C:21]1:[C:22]([H:32]):[C:23]([H:33]):[C:24]([H:34]):[C:25]2:[C:26]([H:35]):[C:27]([H:36]):[C:28]([H:37]):[C:29]([H:38]):[C:30]:1:2