Water → HCID 59400122, compound

HRID 172174Notes

Reaction equation

HRID 172174 reaction equation
[CH3:43][C:44]([N:45]([CH3:46])[CH3:47])=[O:48].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:22][c:23]1[c:24]2[c:25]([n:26][c:27]([NH2:29])[n:28]1)[nH:30][n:31][cH:32]2.[OH2:42].[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[CH2:13][CH:14]([NH2:17])[CH2:15][CH2:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[CH2:13][CH:14]([NH:17][c:23]3[c:24]4[c:25]([n:26][c:27]([NH2:29])[n:28]3)[nH:30][n:31][cH:32]4)[CH2:15][CH2:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 117896254-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amineHCID 59400108HCID 59400108, compound

Product 1

HCID 59400122HCID 59400122, compound

Sources & evidence

ORD record
ord-5dc358c9da3e42ae82916257076a5c7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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