SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([O:11][H:23])([C:12]([C:13](=[O:14])[N:15]([C@@:16]1([H:24])[C:17]([H:25])([H:26])[C:18]([H:27])([H:28])[O:19][C:20]1=[O:21])[H:29])([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]O[C:18]([C:17]([C@:16]([N:15]([C:13]([C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:49])([H:50])[H:51])([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:11][H:23])[H:32])([H:30])[H:31])=[O:14])[H:29])([C:20]([O:19][H])=[O:21])[H:24])([H:25])[H:26])([H:27])[H:28]
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-R4986
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([O:11][H:23])([C:12]([C:13](=[O:14])[N:15]([C@@:16]1([H:24])[C:17]([H:25])([H:26])[C:18]([H:27])([H:28])[O:19][C:20]1=[O:21])[H:29])([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][O:22][H:52]>>[H][O:19][C:20]([C@@:16]([N:15]([C:13]([C:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:49])([H:50])[H:51])([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:11][H:23])[H:32])([H:30])[H:31])=[O:14])[H:29])([C:17]([C:18]([O:22][H:52])([H:27])[H:28])([H:25])[H:26])[H:24])=[O:21]