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

HRID 1240388Notes

Reaction equation

HRID 1240388 reaction equation
[C:41]([O:42][C:43]([N:44]1[CH2:45][CH2:46][CH:47]([n:48]2[c:49]3[n:50][cH:51][n:52][c:53]([O:54][c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]4[C:61]#[N:62])[c:63]3[cH:64][n:65]2)[CH2:66][CH2:67]1)=[O:68])([CH3:69])([CH3:70])[CH3:71].[CH2:79]([O:80][c:81]1[cH:82][cH:83][c:84]([O:85][c:86]2[n:87][cH:88][n:89][c:90]3[n:91]([CH:92]4[CH2:93][CH2:94][NH:95][CH2:96][CH2:97]4)[n:98][cH:99][c:100]23)[c:101]([F:102])[cH:103]1)[CH3:104].[CH:105]([N:106]([CH:107]([CH3:108])[CH3:109])[CH2:110][CH3:111])([CH3:112])[CH3:113].[Cl:114][CH2:115][Cl:116].[Cl:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1.[F:10][C:11]([F:12])([F:13])[C:14]([OH:15])=[O:16].[F:72][C:73]([F:74])([F:75])[C:76]([OH:77])=[O:78].[NH:17]1[CH2:18][CH2:19][CH:20]([n:23]2[n:24][cH:25][c:26]3[c:27]2[n:28][cH:29][n:30][c:31]3[O:32][c:33]2[c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39][cH:40]2)[CH2:21][CH2:22]1.[OH2:117]>>[C:2](=[O:3])([O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1)[N:17]1[CH2:18][CH2:19][CH:20]([n:23]2[n:24][cH:25][c:26]3[c:27]2[n:28][cH:29][n:30][c:31]3[O:32][c:33]2[c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39][cH:40]2)[CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acid2×HCID 81531DiisopropylethylamineHCID 2735892Cyclopentyl chloroformateHCID 445144014-[4-(2-Cyano-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl esterHCID 579648844-(4-Ethoxy-2-fluorophenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidineHCID 669154572-(1-Piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzonitrile

Product 1

HCID 579649284-[4-(2-Cyano-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid cyclopentyl ester

Sources & evidence

ORD record
ord-fa71aa4a80c142e791c612e6cf740d62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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