SMIRKS
[C:1]([C:2]([N:3]([H:39])[H:40])([C:4](=[O:5])[N:6]([C:7]([C:8]([H:41])([H:42])[H:43])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:44]):[C:16]([H:45]):[C:17]([H:46]):[C:18]([H:47]):[C:19]:1[H:48])([H:49])[H:50])([C:20](=[O:21])[N:22]([C:23]1:[C:24]([H:51]):[C:25]([H:52]):[C:26]2:[C:27]([C:28]([C:29]([N:30]([H:53])[H:54])=[O:31])([H:55])[H:56]):[C:32]([H:57]):[C:33](=[O:34]):[O:35]:[C:36]:2:[C:37]:1[H:58])[H:59])[H:60])[H:61])[H:62])[H:63])[H:64])([H:65])([H:66])[H:67]>>[H]O[C:20]([C@@:12]([N:11]([C:9]([C:7]([N:6]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([N:3]([H:39])[H:40])[H:64])=[O:5])[H:63])([C:8]([H:41])([H:42])[H:43])[H:62])=[O:10])[H:61])([C:13]([C:14]1:[C:15]([H:44]):[C:16]([H:45]):[C:17]([H:46]):[C:18]([H:47]):[C:19]:1[H:48])([H:49])[H:50])[H:60])=[O:21].[H][N:22]([C:23]1:[C:24]([H:51]):[C:25]([H:52]):[C:26]2:[C:27]([C:28]([C:29]([N:30]([H:53])[H:54])=[O:31])([H:55])[H:56]):[C:32]([H:57]):[C:33](=[O:34]):[O:35]:[C:36]:2:[C:37]:1[H:58])[H:59]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E394 - Reaction Operator E
[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8]-[H])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]
EVODEX.1-N745 - Reaction Operator N
[#6:4]-[#6:5](-[#7:6])(-[#6:60](=[#8:61])-[#7:62](-[#6@@:63])-[H:255])-[H:256]>>[H]-[#8]-[#6:60](-[#6@:5](-[#6:4])(-[#7:6])-[H:256])=[#8:61].[H]-[#7:62](-[#6@@:63])-[H:255]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5633
[C:1]([C:2]([N:3]([H:39])[H:40])([C:4](=[O:5])[N:6]([C:7]([C:8]([H:41])([H:42])[H:43])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:44]):[C:16]([H:45]):[C:17]([H:46]):[C:18]([H:47]):[C:19]:1[H:48])([H:49])[H:50])([C:20](=[O:21])[N:22]([C:23]1:[C:24]([H:51]):[C:25]([H:52]):[C:26]2:[C:27]([C:28]([C:29]([N:30]([H:53])[H:54])=[O:31])([H:55])[H:56]):[C:32]([H:57]):[C:33](=[O:34]):[O:35]:[C:36]:2:[C:37]:1[H:58])[H:59])[H:60])[H:61])[H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:38][H:68]>>[C:1]([C:2]([N:3]([H:39])[H:40])([C:4](=[O:5])[N:6]([C:7]([C:8]([H:41])([H:42])[H:43])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:44]):[C:16]([H:45]):[C:17]([H:46]):[C:18]([H:47]):[C:19]:1[H:48])([H:49])[H:50])([C:20](=[O:21])[O:38][H:68])[H:60])[H:61])[H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][N:22]([C:23]1:[C:24]([H:51]):[C:25]([H:52]):[C:26]2:[C:27]([C:28]([C:29]([N:30]([H:53])[H:54])=[O:31])([H:55])[H:56]):[C:32]([H:57]):[C:33](=[O:34]):[O:35]:[C:36]:2:[C:37]:1[H:58])[H:59]