EVODEX.1-P4071 - 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(=O)[O:14][C:15]([C@@:16]([O:17][H:31])([C:18]([O:19][P:20](=[O:21])([O:22][H:32])[O:23][C:24]([C:25]([N+:26]([C:27]([H:33])([H:34])[H:35])([C:28]([H:36])([H:37])[H:38])[C:29]([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][O:14][C:15]([C@@:16]([O:17][H:31])([C:18]([O:19][P:20](=[O:21])([O:22][H:32])[O:23][C:24]([C:25]([N+:26]([C:27]([H:33])([H:34])[H:35])([C:28]([H:36])([H:37])[H:38])[C:29]([H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])([H:49])[H:50]

Derived Operators

EVODEX.1-F22 - Elemental Balance

O	-1
C	-12
H	-22

EVODEX.1-M94 - Mass Difference

-182.16716

EVODEX.1-E462 - Reaction Operator E

[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:14]-[#6:15])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:14](-[#6:15])-[H]

EVODEX.1-C285 - 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](=[#8])-[#8:14]>>[H]-[#8:14]

EVODEX.1-N320 - 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-R4915

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C@@:16]([O:17][H:31])([C:18]([O:19][P:20](=[O:21])([O:22][H:32])[O:23][C:24]([C:25]([N+:26]([C:27]([H:33])([H:34])[H:35])([C:28]([H:36])([H:37])[H:38])[C:29]([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:72])[H:73].[H][O:30][H:74]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:30][H:74])([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:72])[H:73].[H][O:14][C:15]([C@@:16]([O:17][H:31])([C:18]([O:19][P:20](=[O:21])([O:22][H:32])[O:23][C:24]([C:25]([N+:26]([C:27]([H:33])([H:34])[H:35])([C:28]([H:36])([H:37])[H:38])[C:29]([H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])([H:49])[H:50]