Water → Cyclopentyl-{4-[4-(4-ethoxy-2-fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-methanone

HRID 157089Notes

Reaction equation

HRID 157089 reaction equation
[CH2:16]([CH3:17])[O:18][c:19]1[cH:20][c:21]([F:41])[c:22]([O:23][c:24]2[c:25]3[c:26]([n:27][cH:28][n:29]2)[n:30]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[n:31][cH:32]3)[cH:39][cH:40]1.[CH:1]1([C:6](=[O:7])[Cl:8])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:52][CH2:53][Cl:54].[F:9][C:10]([F:11])([F:12])[C:13]([OH:14])=[O:15].[OH2:51]>>[CH:1]1([C:6](=[O:7])[N:36]2[CH2:35][CH2:34][CH:33]([n:30]3[c:26]4[c:25]([c:24]([O:23][c:22]5[c:21]([F:41])[cH:20][c:19]([O:18][CH2:16][CH3:17])[cH:40][cH:39]5)[n:29][cH:28][n:27]4)[cH:32][n:31]3)[CH2:38][CH2:37]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 78284Cyclopentanecarbonyl chlorideHCID 81531DiisopropylethylamineHCID 579648844-(4-Ethoxy-2-fluorophenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964888Cyclopentyl-{4-[4-(4-ethoxy-2-fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-aec78e56aad6477f9629ec1825fdef17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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