Isopropanol → 2-(2-chloro-6-phenyl-pyrimidin-4-ylamino)-N-(2,2,2-trifluoro-ethyl)propionamide

Reaction equation

[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[CH:35]([OH:36])([CH3:37])[CH3:38].[NH2:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][C:21]([F:22])([F:23])[F:24])[CH3:25].[c:1]1(-[c:7]2[cH:8][c:9]([Cl:14])[n:10][c:11]([Cl:13])[n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]([NH:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][C:21]([F:22])([F:23])[F:24])[CH3:25])[n:10][c:11]([Cl:13])[n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 4

HCID 3776Isopropanol

HCID 81531Diisopropylethylamine

HCID 2415542,4-Dichloro-6-phenylpyrimidine

HCID 246908252-amino-N-(2,2,2-trifluoroethyl)propanamide

Product 1

HCID 866148272-(2-chloro-6-phenyl-pyrimidin-4-ylamino)-N-(2,2,2-trifluoro-ethyl)propionamide

Sources & evidence

ORD record: ord-340ed874768243aeaae182e5ee3e7768
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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