EVODEX.1-P5821 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)[N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:38])([H:39])[H:40])([C:20](=[O:21])[N:22]1[C:23]([H:41])([H:42])[C:24]([H:43])([H:44])[C:25]([H:45])([H:46])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:47])([H:48])[C:31]([H:49])([H:50])[C:32]([H:51])([H:52])[C@:33]1([C:34](=[O:35])[O:36][H:53])[H:54])[H:55])[H:56])[H:57])([H:58])[H:59])[H:60]>>[H][N:10]([C:11]([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17](=[O:18])[O:19][H:38])([H:39])[H:40])([C:20](=[O:21])[N:22]1[C:23]([H:41])([H:42])[C:24]([H:43])([H:44])[C:25]([H:45])([H:46])[C@:26]1([C:27](=[O:28])[N:29]1[C:30]([H:47])([H:48])[C:31]([H:49])([H:50])[C:32]([H:51])([H:52])[C@:33]1([C:34](=[O:35])[O:36][H:53])[H:54])[H:55])[H:56])[H:57])([H:58])[H:59])[H:60]

Derived Operators

EVODEX.1-F230 - Elemental Balance

O	-3
C	-5
H	-6

EVODEX.1-M135 - Mass Difference

-114.03168

EVODEX.1-E946 - Reaction Operator E

[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:10](-[#6@@:11])-[H:36])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#7:10](-[#6@@:11])(-[H:36])-[H]

EVODEX.1-C701 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10]>>[H]-[#7:10]

EVODEX.1-N866 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10](-[#6:11])-[H:19]>>[H]-[#7:10](-[#6:11])-[H:19]

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-R6512

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