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Acetate → 3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 1559128
Notes
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Reaction equation

HRID 1559128 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[c:14]([F:20])[cH:15][cH:16][c:17]([F:19])[cH:18]1)=[O:21])[CH2:6][CH2:5]2.[Br:27][c:28]1[n:29][n:30]([CH3:38])[c:31]2[n:32][cH:33][n:34][c:35]([NH2:37])[c:36]12.[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:23][C:24](=[O:25])[O-:26].[K+:22].[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[c:2]1(-[c:28]2[n:29][n:30]([CH3:38])[c:31]3[n:32][cH:33][n:34][c:35]([NH2:37])[c:36]23)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([C:11]([CH2:12][c:13]1[c:14]([F:20])[cH:15][cH:16][c:17]([F:19])[cH:18]1)=[O:21])[CH2:6][CH2:5]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 175AcetateHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 312751,4-DioxaneHCID 127789343-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 668238625-bromo-1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indole

Product 1

HCID 534667253-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-ca79095eac994c73b74eb880a69f3670
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes