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

HRID 1213107Notes

Reaction equation

HRID 1213107 reaction equation
[CH2:15]([CH3:16])[O:17][c:18]1[cH:19][c:20]([F:40])[c:21]([O:22][c:23]2[c:24]3[c:25]([n:26][cH:27][n:28]2)[n:29]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[n:30][cH:31]3)[cH:38][cH:39]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:1][C:2](=[O:3])[O:4][CH:5]([CH3:6])[CH3:7].[Cl:51][CH2:52][Cl:53].[F:8][C:9]([F:10])([F:11])[C:12]([OH:13])=[O:14].[OH2:50]>>[C:2](=[O:3])([O:4][CH:5]([CH3:6])[CH3:7])[N:35]1[CH2:34][CH2:33][CH:32]([n:29]2[c:25]3[c:24]([c:23]([O:22][c:21]4[c:20]([F:40])[cH:19][c:18]([O:17][CH2:15][CH3:16])[cH:39][cH:38]4)[n:28][cH:27][n:26]3)[cH:31][n:30]2)[CH2:37][CH2:36]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7917Isopropyl chloroformateHCID 81531DiisopropylethylamineHCID 579648844-(4-Ethoxy-2-fluorophenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 445141074-[4-(4-Ethoxy-2-fluoro-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

Sources & evidence

ORD record
ord-2edad188800d4a1eb747ee64eb208961
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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