SMIRKS
[C:1]([O:2][C:3]1=[C:4]([N:5]([H:36])[H:37])[C:6](=[O:7])[C:8]([C:9]([H:38])([H:39])[H:40])=[C:10]([C:11]([C:12](=[C:13]([C:14]([H:41])([H:42])[H:43])[C:15]([C:16]([C:17](=[C:18]([C:19]([H:44])([H:45])[H:46])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:47])([H:48])[H:49])[C:25]([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])[C:26]1=[O:27])([H:66])([H:67])[H:68]>>[H][O:7][C:6]1:[C:4]([N:5]([H:36])[H:37]):[C:3]([O:2][C:1]([H:66])([H:67])[H:68]):[C:26]([O:27][H]):[C:10]([C:11]([C:12](=[C:13]([C:14]([H:41])([H:42])[H:43])[C:15]([C:16]([C:17](=[C:18]([C:19]([H:44])([H:45])[H:46])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:47])([H:48])[H:49])[C:25]([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]):[C:8]:1[C:9]([H:38])([H:39])[H:40]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E30 - Reaction Operator E
[#6:10]1=[#6:11]-[#6:13](=[#8:14])-[#6:15]=[#6:18]-[#6:21]-1=[#8:22]>>[#6:10]1:[#6:11]:[#6:13](-[#8:14]-[H]):[#6:15]:[#6:18]:[#6:21]:1-[#8:22]-[H]
EVODEX.1-N116 - Reaction Operator N
([#8:49]=[#6:50].[#6:53]=[#8:54])>>([H]-[#8:49]-[#6:50].[#6:53]-[#8:54]-[H])
EVODEX.1-Em192 - Reaction Operator Em
[#8:49]=[#6:50]1-[#6:51]=[#6:52]-[#6:53](=[#8:54])-[#6:55]=[#6:62]-1>>[H]-[#8:49]-[#6:50]1:[#6:51]:[#6:52]:[#6:53](-[#8:54]-[H]):[#6:55]:[#6:62]:1
EVODEX.1-Nm195 - Reaction Operator Nm
([#8:49]=[#6:50].[#6:53]=[#8:54])>>([H]-[#8:49]-[#6:50].[#6:53]-[#8:54]-[H])
Source Full Reactions
EVODEX.1-R843
[C:1]([O:2][C:3]1=[C:4]([N:5]([H:36])[H:37])[C:6](=[O:7])[C:8]([C:9]([H:38])([H:39])[H:40])=[C:10]([C:11]([C:12](=[C:13]([C:14]([H:41])([H:42])[H:43])[C:15]([C:16]([C:17](=[C:18]([C:19]([H:44])([H:45])[H:46])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:47])([H:48])[H:49])[C:25]([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])[C:26]1=[O:27])([H:66])([H:67])[H:68].[H][C:31]([C:29](=[O:28])[O:30][H:69])([C:32]([H])([C:33](=[O:34])[O:35][H:70])[H:71])[H:73]>>[H][O:7][C:6]1:[C:4]([N:5]([H:36])[H:37]):[C:3]([O:2][C:1]([H:66])([H:67])[H:68]):[C:26]([O:27][H]):[C:10]([C:11]([C:12](=[C:13]([C:14]([H:41])([H:42])[H:43])[C:15]([C:16]([C:17](=[C:18]([C:19]([H:44])([H:45])[H:46])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:47])([H:48])[H:49])[C:25]([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]):[C:8]:1[C:9]([H:38])([H:39])[H:40].[O:28]=[C:29]([O:30][H:69])[C:31](=[C:32]([C:33](=[O:34])[O:35][H:70])[H:71])[H:73]