Ethyl Acetate → 2-chloro-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

HRID 150433Notes

Reaction equation

HRID 150433 reaction equation
[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[OH:1][c:2]1[n:3][cH:4][c:5]([C:31]#[N:32])[c:6](-[c:8]2[cH:9][n:10]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]3)[c:11]3[n:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][c:16]23)[n:7]1.[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37]>>[c:2]1([Cl:35])[n:3][cH:4][c:5]([C:31]#[N:32])[c:6](-[c:8]2[cH:9][n:10]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]3)[c:11]3[n:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][c:16]23)[n:7]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 178427354HCID 178427354, compound

Product 1

HCID 594144402-chloro-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-6bddd969fb8944409beca0b08411a79e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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