Ethyl Acetate → [3-(2,5-Dichloro-pyrimidin-4-ylamino)-phenyl]-acetonitrile

Reaction equation

[CH3:20][CH2:21][O:22][C:23]([CH3:24])=[O:25].[Cl:11][c:12]1[n:13][cH:14][c:15]([Cl:19])[c:16]([Cl:18])[n:17]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:8][C:9]#[N:10])[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:8][C:9]#[N:10])[cH:5][cH:6][cH:7]1)[c:16]1[c:15]([Cl:19])[cH:14][n:13][c:12]([Cl:11])[n:17]1

Participants

Reactant 3

HCID 8857Ethyl Acetate

HCID 2372592,4,5-Trichloropyrimidine

HCID 4847850(3-Amino-phenyl)-acetonitrile

Product 1

HCID 86633979[3-(2,5-Dichloro-pyrimidin-4-ylamino)-phenyl]-acetonitrile

Sources & evidence

ORD record: ord-9b8175f8b4894aa68123ce5ded6c8246
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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