SMIRKS
[H][C:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[O:37]=[O:38]>>[H][O:37][C@:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[H][O:38][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E15 - Reaction Operator E
[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:31]=[#8:32]>>[#7:8]-[#6:9](-[#6:10])(-[#8:31]-[H])-[H:34].[#8:32](-[H])-[H]
EVODEX.1-N198 - Reaction Operator N
[H]-[#6:25](-[#7:24])(-[#6:26])-[H:57].[#8:41]=[#8:42]>>[H]-[#8:42]-[#6:25](-[#7:24])(-[#6:26])-[H:57].[H]-[#8:41]-[H]
EVODEX.1-Em280 - Reaction Operator Em
[H]-[#6:25](-[#7:24])-[#6:26].[#8:41]=[#8:42]>>[H]-[#8:42]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:41]-[H]
EVODEX.1-Cm77 - Reaction Operator Cm
[H]-[#6:17].[#8:81]=[#8:82]>>[H]-[#8:81]-[#6:17].[H]-[#8:82]-[H]
EVODEX.1-Nm278 - Reaction Operator Nm
[H]-[#6:25](-[#7:24])-[#6:26].[#8:41]=[#8:42]>>[H]-[#8:42]-[#6:25](-[#7:24])-[#6:26].[H]-[#8:41]-[H]
Source Full Reactions
EVODEX.1-R547
[H][C:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[H][O:34][C:33]1=[C:35]([O:36][H])[C:26](=[O:25])[O:27][C@@:28]1([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])[H:67].[O:37]=[O:38]>>[H][O:37][C@:21]([N:20]([C:18]([C@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:39])([H:40])[H:41])[H:58])([N:5]([C:6](=[O:7])[C@:8]([N:9]([H:42])[H:43])([C:10]([C:11]1:[C:12]([H:44]):[C:13]([H:45]):[C:14]([O:15][H:46]):[C:16]([H:47]):[C:17]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:57])=[O:19])[H:56])([C:22](=[O:23])[O:24][H:53])[H:54].[O:25]=[C:26]1[O:27][C@@:28]([C@@:29]([O:30][H:62])([C:31]([O:32][H:63])([H:64])[H:65])[H:66])([H:67])[C:33](=[O:34])[C:35]1=[O:36].[H][O:38][H]