Methanol → 4-Amino-5-iodo-2-(trifluoromethyl)benzonitrile
Reaction equation
[Al:36].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:26][OH:27].[I:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[NH2:1][c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[OH2:14].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1>>[NH2:1][c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][c:9]1[I:28]Participants
8
Sources & evidence
- ORD record
- ord-e63ee6a604544cb9a4e7fadd470781b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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