EVODEX.1-P5737 - Partial Reaction

SMIRKS

[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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:18]([C:19]1:[C:20]([H:32]):[C:21]([H:33]):[C:22]2:[C:23]([C:24]([H:34])([H:35])[H:36]):[C:25]([H:37]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:38])[H:39]>>[H][N:18]([C:19]1:[C:20]([H:32]):[C:21]([H:33]):[C:22]2:[C:23]([C:24]([H:34])([H:35])[H:36]):[C:25]([H:37]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:38])[H:39]

Derived Operators

EVODEX.1-F17 - Elemental Balance

O	-1
C	-16
H	-30

EVODEX.1-M93 - Mass Difference

-238.2298

EVODEX.1-E456 - Reaction Operator E

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:18](-[#6:19])-[H:33])(-[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]>>[#7:18](-[#6:19])(-[H:33])-[H]

EVODEX.1-C695 - Reaction Operator C

[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:18]>>[H]-[#7:18]

EVODEX.1-N859 - Reaction Operator N

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R6442

[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](=[O:17])[N:18]([C:19]1:[C:20]([H:32]):[C:21]([H:33]):[C:22]2:[C:23]([C:24]([H:34])([H:35])[H:36]):[C:25]([H:37]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:38])[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][O:31][H:71]>>[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](=[O:17])[O:31][H:71])([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][N:18]([C:19]1:[C:20]([H:32]):[C:21]([H:33]):[C:22]2:[C:23]([C:24]([H:34])([H:35])[H:36]):[C:25]([H:37]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:38])[H:39]