Ethanol → HCID 617104, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[n:3][c:4]2[c:5]([N:26]3[C:27](=[O:28])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[C:35]3=[O:36])[cH:6][c:7]([O:24][CH3:25])[c:8]([O:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:9]2[c:10]([CH3:12])[cH:11]1.[NH2:38][NH2:39].[OH2:37]>>[Cl:1][c:2]1[n:3][c:4]2[c:5]([NH2:26])[cH:6][c:7]([O:24][CH3:25])[c:8]([O:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:9]2[c:10]([CH3:12])[cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-895d99cffde34dc7bc696c5f2ba359d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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