Water → HCID 59400116, compound

HRID 2149189Notes

Reaction equation

HRID 2149189 reaction equation
[CH3:45][C:46]([N:47]([CH3:48])[CH3:49])=[O:50].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:25][c:26]1[c:27]2[c:28]([n:29][c:30]([NH2:32])[n:31]1)[nH:33][n:34][cH:35]2.[F:18][C:19]([F:20])([F:21])[C:22]([OH:23])=[O:24].[OH2:51].[c:1]1([N:7]2[CH2:8][CH:9]([NH2:17])[CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]2[CH2:8][CH:9]([NH:17][c:26]3[c:27]4[c:28]([n:29][c:30]([NH2:32])[n:31]3)[nH:33][n:34][cH:35]4)[CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 117896254-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amineHCID 59400121HCID 59400121, compound

Product 1

HCID 59400116HCID 59400116, compound

Sources & evidence

ORD record
ord-5be828943ae047a296532769f17e9f45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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