1,2-Dichloroethane → 4-[5-(4-Pentylphenyl)pyrimidin-2-YL]benzonitrile

HRID 100507Notes

Reaction equation

HRID 100507 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[NH2:24])[cH:25][cH:26]3)[n:16][cH:17]2)[cH:10][cH:11]1.[CH2:32]([Cl:33])[CH2:34][Cl:35].[P:27]([Cl:28])([Cl:29])([Cl:30])=[O:31]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][n:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([C:22]#[N:24])[cH:25][cH:26]3)[n:16][cH:17]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 111,2-DichloroethaneHCID 24813Phosphorus oxychlorideHCID 155640744-(5-(4-Pentylphenyl)pyrimidin-2-yl)benzamide

Product 1

HCID 155640834-[5-(4-Pentylphenyl)pyrimidin-2-YL]benzonitrile

Sources & evidence

ORD record
ord-fe54ba56b206498cad6c1ae665c0a34c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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