Water → 4-[4-(4-Ethoxy-2-fluorophenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid cyclopentyl ester

HRID 2344659Notes

Reaction equation

HRID 2344659 reaction equation
[CH2:17]([CH3:18])[O:19][c:20]1[cH:21][c:22]([F:42])[c:23]([O:24][c:25]2[c:26]3[c:27]([n:28][cH:29][n:30]2)[n:31]([CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[n:32][cH:33]3)[cH:40][cH:41]1.[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[Cl:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1.[Cl:53][CH2:54][Cl:55].[F:10][C:11]([F:12])([F:13])[C:14]([OH:15])=[O:16].[OH2:52]>>[C:2](=[O:3])([O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1)[N:37]1[CH2:36][CH2:35][CH:34]([n:31]2[c:27]3[c:26]([c:25]([O:24][c:23]4[c:22]([F:42])[cH:21][c:20]([O:19][CH2:17][CH3:18])[cH:41][cH:40]4)[n:30][cH:29][n:28]3)[cH:33][n:32]2)[CH2:39][CH2:38]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 2735892Cyclopentyl chloroformateHCID 579648844-(4-Ethoxy-2-fluorophenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 579649964-[4-(4-Ethoxy-2-fluorophenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid cyclopentyl ester

Sources & evidence

ORD record
ord-fee136fc8bf34749a850292f4166fcbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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