Ethanol → HCID 68459094, compound
Reaction equation
[CH3:34][CH2:35][OH:36].[Cl:13][c:14]1[cH:15][cH:16][c:17]([N+:31]([O-:32])=[O:33])[c:18]([S:20][c:21]2[cH:22][cH:23][c:24]([NH:27][C:28]([CH3:29])=[O:30])[cH:25][cH:26]2)[cH:19]1.[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1>>[c:2]1([NH:31][c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][c:18]2[S:20][c:21]2[cH:22][cH:23][c:24]([NH:27][C:28]([CH3:29])=[O:30])[cH:25][cH:26]2)[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[n:9][cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-19ed237e7cb7446c81ecbb5038fafdf4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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