SMIRKS
[O:2]=[C:3]([N:4]([C:5]([C:6](=[O:7])[N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[O:27][C:28]([C:29]1:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:1[H:59])([H:60])[H:61]>>[H][N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50].[H]O[C:13]([C@@:12]1([H:51])[N:8]([C:6]([C:5]([N:4]([C:3](=[O:2])[O:27][C:28]([C:29]2:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:2[H:59])([H:60])[H:61])[H:54])([H:52])[H:53])=[O:7])[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]1([H:39])[H:40])=[O:14]
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-R5810
[O:2]=[C:3]([N:4]([C:5]([C:6](=[O:7])[N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[O:27][C:28]([C:29]1:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:1[H:59])([H:60])[H:61].[H][O:1][H:62]>>[H][N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50].[O:1]([C:13]([C@@:12]1([H:51])[N:8]([C:6]([C:5]([N:4]([C:3](=[O:2])[O:27][C:28]([C:29]2:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:2[H:59])([H:60])[H:61])[H:54])([H:52])[H:53])=[O:7])[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]1([H:39])[H:40])=[O:14])[H:62]