Ethanol → HCID 42598894, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[Cl:36][c:37]1[n:38][n:39][c:40]2[n:41]1[n:42][c:43]([O:46][CH3:47])[cH:44][cH:45]2.[K+:22].[N:1]1([CH2:6][CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]3[c:15]([n:16]2)[cH:17][cH:18][c:19]([SH:21])[cH:20]3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:48].[OH:23][P:24](=[O:25])([O-:26])[OH:27].[SH:28][CH2:29][CH:30]([CH:31]([CH2:32][SH:33])[OH:34])[OH:35]>>[N:1]1([CH2:6][CH2:7][NH:8][C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]3[c:15]([n:16]2)[cH:17][cH:18][c:19]([S:21][c:37]2[n:38][n:39][c:40]4[n:41]2[n:42][c:43]([O:46][CH3:47])[cH:44][cH:45]4)[cH:20]3)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
8
Sources & evidence
- ORD record
- ord-2cf0ad0515b449498aaa6192f9917baa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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