1,2-Dichloroethane → 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

HRID 1138983Notes

Reaction equation

HRID 1138983 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][cH:12][nH:13][c:14](=[O:18])[c:15]2[CH2:16][CH2:17]1.[CH3:24][N:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH3:32].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:38][CH2:39][CH2:40][Cl:41].[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[OH2:48].[P:19]([Cl:20])([Cl:21])([Cl:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([Cl:21])[c:15]2[CH2:16][CH2:17]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 949N,N-DimethylanilineHCID 962WaterHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 1357235075,6,7,8-Tetrahydro-7-(phenylmethyl)pyrido(3,4-d)pyrimidin-4(3H)-one

Product 1

HCID 219588387-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-b8b0a792f1b44ce88524d5d60953ab5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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