Acetonitrile → 2-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenoxy)-2-methyl-propionic acid ethyl ester

HRID 2139033Notes

Reaction equation

HRID 2139033 reaction equation
[Br:27][C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])([CH3:34])[CH3:35].[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][NH:11][c:12]2[cH:13][c:14](-[c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[n:15][c:16]([O:18][CH3:19])[n:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][NH:11][c:12]2[cH:13][c:14](-[c:20]3[cH:21][c:22]([O:26][C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])([CH3:34])[CH3:35])[cH:23][cH:24][cH:25]3)[n:15][c:16]([O:18][CH3:19])[n:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 11745Propanoic acid, 2-bromo-2-methyl-, ethyl esterHCID 114948343-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenol

Product 1

HCID 589903752-(3-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenoxy)-2-methyl-propionic acid ethyl ester

Sources & evidence

ORD record
ord-ac15079ea00b4a6fa8f36d132d097a3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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