Acetic Acid → 4-(3-chloro-phenylamino)-3-(3,5-dimethoxybenzylamino)-1H-pyrazolo[3,4-d]pyrimidine

HRID 163315Notes

Reaction equation

HRID 163315 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[O:7])[cH:8][c:9]([O:11][CH3:12])[cH:10]1.[CH3:31][C:32](=[O:33])[OH:34].[CH3:36][OH:37].[NH2:13][c:14]1[n:15][nH:16][c:17]2[n:18][cH:19][n:20][c:21]([NH:23][c:24]3[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]3)[c:22]12.[OH2:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH:13][c:14]2[n:15][nH:16][c:17]3[n:18][cH:19][n:20][c:21]([NH:23][c:24]4[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]4)[c:22]23)[cH:8][c:9]([O:11][CH3:12])[cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 817473,5-DimethoxybenzaldehydeHCID 178509242HCID 178509242, compound

Product 1

HCID 196106434-(3-chloro-phenylamino)-3-(3,5-dimethoxybenzylamino)-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-5f38e61cc26c408b937ae66ae90ca203
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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