Ethanol → HCID 57742680, compound
Reaction equation
[CH3:52][CH2:53][OH:54].[NH2:50][NH2:51].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[n:23][c:24]([CH:27]3[CH2:28][CH2:29][N:30]([S:33](=[O:34])(=[O:35])[CH2:36][CH2:37][N:38]4[C:39](=[O:40])[c:41]5[c:42]([cH:43][cH:44][cH:45][cH:46]5)[C:47]4=[O:48])[CH2:31][CH2:32]3)[n:25][s:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1.[OH2:49]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[n:23][c:24]([CH:27]3[CH2:28][CH2:29][N:30]([S:33](=[O:34])(=[O:35])[CH2:36][CH2:37][NH2:38])[CH2:31][CH2:32]3)[n:25][s:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1Participants
5
Sources & evidence
- ORD record
- ord-d071e7a7541a48b497649238dbfb611c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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