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Acetone → 3-(3-(2,6-dimethylphenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanal

HRID 1146655
Notes
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Reaction equation

HRID 1146655 reaction equation
[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][n:12]([CH2:26][CH2:27][CH:28]([CH2:29][OH:30])[OH:31])[c:13]3[n:14][c:15]([NH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:16][cH:17][c:18]23)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:32][C:33](=[O:34])[CH3:35].[Cl:37][CH2:38][Cl:39].[OH2:36]>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][n:12]([CH2:26][CH2:27][CH:28]=[O:31])[c:13]3[n:14][c:15]([NH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:16][cH:17][c:18]23)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6344DichloromethaneHCID 160488204-(3-(2,6-dimethylphenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butane-1,2-diol

Product 1

HCID 588368773-(3-(2,6-dimethylphenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanal

Sources & evidence

ORD record
ord-13636d3c4ae949d4b84b05bba1b4efe0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes