Ethanol → HCID 21891186, compound
Reaction equation
[CH3:24][CH2:25][OH:26].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12.[c:27]1([C:33](=[O:34])[N:35]=[C:36]=[S:37])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][C:36]([NH:35][C:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:34])=[S:37])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12Participants
5
Sources & evidence
- ORD record
- ord-8c07a54a12594722a357a0779becd8b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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