Pyridine → N1-isopropyl-4-chloro-2-nitroaniline

HRID 1113211Notes

Reaction equation

HRID 1113211 reaction equation
[BH3:26].[BH3:33].[CH3:12][O:13][C:14]([CH3:15])([CH3:16])[O:17][CH3:18].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Cl:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:6])[cH:7][cH:8]1.[OH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH:6][CH:14]([CH3:15])[CH3:16])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 1049Pyridine2×HCID 1140TolueneHCID 6331Borane2×HCID 6422Trifluoroacetic acidHCID 64952,2-DimethoxypropaneHCID 69794-Chloro-2-nitroanilineHCID 8058HexaneHCID 8857Ethyl Acetate

Product 1

HCID 2736692N1-isopropyl-4-chloro-2-nitroaniline

Sources & evidence

ORD record
ord-77a270cbe60740ef912427cbbbaf76ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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