SMIRKS
[H][C:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7])=[O:9]>>[C:8](=[O:9])=[O:10].[H]O[C@@:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[H]O[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7]
Derived Operators
EVODEX.1-M19 - Mass Difference
31.9898
EVODEX.1-E608 - Reaction Operator E
[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6:9](=[#8:10])-[#8:11]-[H]>>[#6:9](=[#8:10])=[#8:11].[#6:13]-[#6@:14](-[#8]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8]-[H]
EVODEX.1-C54 - Reaction Operator C
[H]-[#6:1].[H]-[#8:21]-[#6:19]-[#6:17]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1].[H]-[#8]-[#6:17]
EVODEX.1-N153 - Reaction Operator N
[H]-[#6:50](-[#6@:49])(-[#6:51])-[H:123].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6@@:50](-[#6@:49])(-[#6:51])-[H:123].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]
EVODEX.1-Em235 - Reaction Operator Em
[H]-[#6:50](-[#6:49])-[#6:51].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6:50](-[#6:49])-[#6:51].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]
EVODEX.1-Cm53 - Reaction Operator Cm
[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]
EVODEX.1-Nm233 - Reaction Operator Nm
[H]-[#6:50](-[#6:49])-[#6:51].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6:50](-[#6:49])-[#6:51].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]
Source Full Reactions
EVODEX.1-R376
[H][C:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7])=[O:9].[O:32]=[O:33]>>[C:8](=[O:9])=[O:10].[H][O:32][C@@:19]1([H:37])[C:18]([H:35])([H:36])[N:17]([C:16]([C:15]([C@@:14]([C:12](=[O:11])[O:13][H:34])([N:24]([C:25]([C:26]([C@:27]([O:28][H:45])([C:29](=[O:30])[O:31][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])[H:52])[H:53])([H:43])[H:44])([H:41])[H:42])[C@@:20]1([C:21](=[O:22])[O:23][H:39])[H:40].[H][O:33][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:54])([H:58])[H:59])([H:56])[H:57])=[O:7]