SMIRKS
[H][C:25]([N:24]([C:22]([C:21]([N:20]([C:18]([C@@:17]1([H:63])[N:13]([C:11]([C@:2]([N:1]([H:65])[H:66])([C:3]([C:4]2:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][H:45]):[C:9]([H:46]):[C:10]:2[H:47])([H:48])[H:49])[H:64])=[O:12])[C:14]([H:50])([H:51])[C:15]([H:52])([H:53])[C:16]1([H:54])[H:55])=[O:19])[H:62])([H:60])[H:61])=[O:23])[H:59])([C:26](=[O:27])[O:28][H:56])[H:57].[O:41]=[O:42]>>[H][O:42][C:25]([N:24]([C:22]([C:21]([N:20]([C:18]([C@@:17]1([H:63])[N:13]([C:11]([C@:2]([N:1]([H:65])[H:66])([C:3]([C:4]2:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][H:45]):[C:9]([H:46]):[C:10]:2[H:47])([H:48])[H:49])[H:64])=[O:12])[C:14]([H:50])([H:51])[C:15]([H:52])([H:53])[C:16]1([H:54])[H:55])=[O:19])[H:62])([H:60])[H:61])=[O:23])[H:59])([C:26](=[O:27])[O:28][H:56])[H:57].[H][O:41][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-R563
[H][C:25]([N:24]([C:22]([C:21]([N:20]([C:18]([C@@:17]1([H:63])[N:13]([C:11]([C@:2]([N:1]([H:65])[H:66])([C:3]([C:4]2:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][H:45]):[C:9]([H:46]):[C:10]:2[H:47])([H:48])[H:49])[H:64])=[O:12])[C:14]([H:50])([H:51])[C:15]([H:52])([H:53])[C:16]1([H:54])[H:55])=[O:19])[H:62])([H:60])[H:61])=[O:23])[H:59])([C:26](=[O:27])[O:28][H:56])[H:57].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:67])([C:35]([O:36][H:68])([H:69])[H:70])[H:71])[H:72].[O:41]=[O:42]>>[H][O:42][C:25]([N:24]([C:22]([C:21]([N:20]([C:18]([C@@:17]1([H:63])[N:13]([C:11]([C@:2]([N:1]([H:65])[H:66])([C:3]([C:4]2:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][H:45]):[C:9]([H:46]):[C:10]:2[H:47])([H:48])[H:49])[H:64])=[O:12])[C:14]([H:50])([H:51])[C:15]([H:52])([H:53])[C:16]1([H:54])[H:55])=[O:19])[H:62])([H:60])[H:61])=[O:23])[H:59])([C:26](=[O:27])[O:28][H:56])[H:57].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:67])([C:35]([O:36][H:68])([H:69])[H:70])[H:71])([H:72])[C:37](=[O:38])[C:39]1=[O:40].[H][O:41][H]