Isopropanol → 3-(3-cyanopyridin-2-ylamino)-N-(3-isopropylphenyl)-4-methylbenzamide

HRID 1563632Notes

Reaction equation

[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][n:9]1.[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[NH2:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]2[cH:18][c:19]([CH:23]([CH3:24])[CH3:25])[cH:20][cH:21][cH:22]2)[cH:26][cH:27][c:28]1[CH3:29]>>[c:2]1([NH:10][c:11]2[cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][c:19]([CH:23]([CH3:24])[CH3:25])[cH:20][cH:21][cH:22]3)[cH:26][cH:27][c:28]2[CH3:29])[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][n:9]1

Participants

Reactant 4

HCID 3776Isopropanol

HCID 6422Trifluoroacetic acid

HCID 810792-Chloronicotinonitrile

HCID 251022283-amino-N-(3-isopropyl-phenyl)-4-methyl-benzamide

Product 1

HCID 691651193-(3-cyanopyridin-2-ylamino)-N-(3-isopropylphenyl)-4-methylbenzamide

Sources & evidence

ORD record: ord-c23ae5b75b0e4b3c9edc8f7abfbac14e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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