Ethanol → HCID 67358116, compound
Reaction equation
[CH3:47][CH2:48][OH:49].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([O:31][CH2:32][CH:33]([CH2:34][N:35]3[C:36](=[O:37])[c:38]4[c:39]([cH:40][cH:41][cH:42][cH:43]4)[C:44]3=[O:45])[OH:46])[cH:30]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([O:31][CH2:32][CH:33]([CH2:34][NH2:35])[OH:46])[cH:30]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1Participants
3
Sources & evidence
- ORD record
- ord-a9284b2f69324b5989ace17c18e1e85d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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