Acetic Acid → 4-(3-Chloro-phenylamino)-3-[4-(2-methyl-tetrazol-5-yl)-benzylamino]-1H-pyrazolo[3,4-d]pyrimidine

HRID 111653Notes

Reaction equation

HRID 111653 reaction equation
[CH3:19][n:20]1[n:21][c:22](-[c:25]2[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]2)[n:23][n:24]1.[CH3:33][C:34](=[O:35])[OH:36].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)[CH2:29][c:28]1[cH:27][cH:26][c:25](-[c:22]2[n:21][n:20]([CH3:19])[n:24][n:23]2)[cH:32][cH:31]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 104878484-(2-Methyl-2H-tetrazol-5-yl)-benzaldehydeHCID 178509242HCID 178509242, compound

Product 1

HCID 211905864-(3-Chloro-phenylamino)-3-[4-(2-methyl-tetrazol-5-yl)-benzylamino]-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-817aa25035c947159bfabe4a08361077
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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