Bicarbonate Ion → 7-Benzyl-4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine

HRID 2341149Notes

Reaction equation

HRID 2341149 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Na+:43].[c:1]1([CH2:7][N:8]2[CH2:9][c:10]3[n:11][c:12]([C:19]([F:20])([F:21])[F:22])[n:13][c:14]([OH:18])[c:15]3[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:23]1([P:24]([Cl:25])(=[O:26])[Cl:31])[cH:27][cH:28][cH:29][cH:30][cH:32]1>>[c:1]1([CH2:7][N:8]2[CH2:9][c:10]3[n:11][c:12]([C:19]([F:20])([F:21])[F:22])[n:13][c:14]([Cl:31])[c:15]3[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8058HexaneHCID 8857Ethyl AcetateHCID 69990Phenylphosphonic dichlorideHCID 178517783HCID 178517783, compound

Product 1

HCID 184565217-Benzyl-4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine

Sources & evidence

ORD record
ord-b91ff53f42c246fab18b64d1ee1c6c74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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