Acetonitrile → (6-Chloropyrido[3,4-d]pyrimidin-4-yl)-(4-(4-fluorobenzyloxy)-phenyl)-amine

HRID 1147896Notes

Reaction equation

HRID 1147896 reaction equation
[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][n:9][c:10]([Cl:12])[cH:11]2.[F:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]2)[cH:27][cH:28]1>>[c:2]1([NH:24][c:23]2[cH:22][cH:21][c:20]([O:19][CH2:18][c:17]3[cH:16][cH:15][c:14]([F:13])[cH:28][cH:27]3)[cH:26][cH:25]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][n:9][c:10]([Cl:12])[cH:11]2

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 64860214-(4-Fluoro-benzyloxy)-phenylamineHCID 108218764,6-Dichloropyrido[3,4-d]pyrimidine

Product 1

HCID 21952330(6-Chloropyrido[3,4-d]pyrimidin-4-yl)-(4-(4-fluorobenzyloxy)-phenyl)-amine

Sources & evidence

ORD record
ord-14402cb2df25475db7ce99b00db06343
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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