3-Anilinopropionitrile → 4-[(2-Cyano-ethyl)-phenyl-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

HRID 144730

Reaction equation

HRID 144730 reaction equation
[Cl:1][c:2]1[n:3][c:4]([S:13][CH3:14])[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[c:15]1([NH:21][CH2:22][CH2:23][C:24]#[N:25])[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[c:2]1([N:21]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:22][CH2:23][C:24]#[N:25])[n:3][c:4]([S:13][CH3:14])[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]

Participants

3

Reactant 2

HCID 141003-AnilinopropionitrileHCID 800084-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester

Product 1

HCID 686776284-[(2-Cyano-ethyl)-phenyl-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-3379f08410ea4f5a926d39dd087cbb92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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