Methyl Ethyl Ketone → HCID 13053835, compound
Reaction equation
[C:12]([CH2:13][CH3:14])(=[O:15])[O:16][CH2:17][CH2:18][N:19]=[C:20]=[O:21].[C:22]([O-:23])(=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[C:36]([O-:37])(=[O:38])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH2:50]([Sn+2:51][CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH2:59]([C:60]([CH3:61])=[O:62])[CH3:63].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1)[C:20]([NH:19][CH2:18][CH2:17][O:16][C:12]([CH2:13][CH3:14])=[O:15])=[O:21]Participants
6
Sources & evidence
- ORD record
- ord-93bacc360cbe4f39b3f2d3bc5d6339d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…