Hydrochloric Acid → 3-(4-acetyl-piperazin-1-yl)-4-(3-chlorophenylamino)-1H-pyrazolo(3,4-d]pyrimidine

HRID 1238580Notes

Reaction equation

HRID 1238580 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][C:33](=[O:34])[O:35][C:36](=[O:37])[CH3:38].[Cl:3][c:4]1[cH:5][c:6]([NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[nH:17][n:18][c:19]3[N:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[cH:7][cH:8][cH:9]1.[ClH:1].[ClH:2].[K+:30].[K+:31].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:39]>>[Cl:3][c:4]1[cH:5][c:6]([NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[nH:17][n:18][c:19]3[N:20]2[CH2:21][CH2:22][N:23]([C:33]([CH3:32])=[O:34])[CH2:24][CH2:25]2)[cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 7918Acetic AnhydrideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 21190658N-(3-chlorophenyl)-3-piperazin-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

Product 1

HCID 211906143-(4-acetyl-piperazin-1-yl)-4-(3-chlorophenylamino)-1H-pyrazolo(3,4-d]pyrimidine

Sources & evidence

ORD record
ord-1f10dffaff1443629f08e17c7ed71708
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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