Bicarbonate Ion → 7-Chloro-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

HRID 93448Notes

Reaction equation

HRID 93448 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]3)[n:10][n:11]3[c:12]2[n:13][c:14]([CH3:18])[cH:15][c:16]3[OH:17])[cH:6][cH:7]1.[Na+:44].[P:35]([Cl:36])([Cl:37])([Cl:38])=[O:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:19]3[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]3)[n:10][n:11]3[c:12]2[n:13][c:14]([CH3:18])[cH:15][c:16]3[Cl:37])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 178429160HCID 178429160, compound

Product 1

HCID 210837217-Chloro-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-8e521b6590f349db94a6fabb1185efaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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