SMIRKS
[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])[C:14]([C:15](=[O:16])[N:17]([C@@:18]1([H:25])[C:19]([H:26])([H:27])[C:20]([H:28])([H:29])[O:21][C:22]1=[O:23])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[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]O[C:20]([C:19]([C@:18]([N:17]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:13])([H:31])[H:32])=[O:16])[H:30])([C:22]([O:21][H])=[O:23])[H:25])([H:26])[H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E350 - Reaction Operator E
[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22]>>([#6:19]-[#6:20](-[#8]-[H])(-[H:28])-[H:29].[#6:22]-[#8:21]-[H])
EVODEX.1-C509 - Reaction Operator C
([#6:20]-[#8:21].[#6@@:18])>>([H]-[#8]-[#6:20].[#8:21]-[H].[#6@:18])
EVODEX.1-N636 - Reaction Operator N
[#7:17]-[#6@@:18]1(-[H:25])-[#6:19]-[#6:20](-[H:28])(-[H:29])-[#8:21]-[#6:22]-1>>[H]-[#8]-[#6:20](-[#6:19]-[#6@:18](-[#7:17])(-[#6:22]-[#8:21]-[H])-[H:25])(-[H:28])-[H:29]
EVODEX.1-Em603 - Reaction Operator Em
[#6:19]-[#6:20]-[#8:21]-[#6:22]>>([H]-[#8]-[#6:20]-[#6:19].[#6:22]-[#8:21]-[H])
EVODEX.1-Nm539 - Reaction Operator Nm
[#6:19]-[#6:20]-[#8:21]-[#6:22]>>([H]-[#8]-[#6:20]-[#6:19].[#6:22]-[#8:21]-[H])
Source Full Reactions
EVODEX.1-R4988
[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])[C:14]([C:15](=[O:16])[N:17]([C@@:18]1([H:25])[C:19]([H:26])([H:27])[C:20]([H:28])([H:29])[O:21][C:22]1=[O:23])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[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][O:24][H:56]>>[H][O:21][C:22]([C@@:18]([N:17]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:13])([H:31])[H:32])=[O:16])[H:30])([C:19]([C:20]([O:24][H:56])([H:28])[H:29])([H:26])[H:27])[H:25])=[O:23]