Ethanol → HCID 22466599, compound
Reaction equation
[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[cH:3][c:4]([F:26])[c:5]([NH:8][c:9]2[c:10]([C:24]#[N:25])[cH:11][n:12][c:13]3[cH:14][c:15]([O:22][CH3:23])[c:16]([N+:19]([O-:20])=[O:21])[cH:17][c:18]23)[cH:6][cH:7]1.[OH2:27].[OH2:28].[Sn:29]([Cl:30])([Cl:31])([Cl:32])[Cl:33]>>[Cl:1][c:2]1[cH:3][c:4]([F:26])[c:5]([NH:8][c:9]2[c:10]([C:24]#[N:25])[cH:11][n:12][c:13]3[cH:14][c:15]([O:22][CH3:23])[c:16]([NH2:19])[cH:17][c:18]23)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-bd3e3cc821ac44899923f9d5fc7e1657
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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