Water → 4-[4-(6-Cyano-2,3-difluoro-phenoxy)-pyrazolo-[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester
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[c:56]([C:57]#[N:58])[cH:59][cH:60][c:61]([F:62])[c:63]4[F:64])[c:65]3[cH:66][n:67]2)[CH2:68][CH2:69]1)=[O:70])([CH3:71])([CH3:72])[CH3:73].[CH2:81]([O:82][c:83]1[cH:84][cH:85][c:86]([O:87][c:88]2[n:89][cH:90][n:91][c:92]3[n:93]([CH:94]4[CH2:95][CH2:96][NH:97][CH2:98][CH2:99]4)[n:100][cH:101][c:102]23)[c:103]([F:104])[cH:105]1)[CH3:106].[CH:107]([N:108]([CH:109]([CH3:110])[CH3:111])[CH2:112][CH3:113])([CH3:114])[CH3:115].[Cl:116][CH2:117][Cl:118].[Cl:1][C:2](=[O:3])[O:4][CH:5]([CH3:6])[CH3:7].[F:15][c:16]1[c:17]([O:25][c:26]2[c:27]3[c:28]([n:29][cH:30][n:31]2)[n:32]([CH:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[n:33][cH:34]3)[c:18]([C:19]#[N:20])[cH:21][cH:22][c:23]1[F:24].[F:74][C:75]([F:76])([F:77])[C:78]([OH:79])=[O:80].[F:8][C:9]([F:10])([F:11])[C:12]([OH:13])=[O:14].[OH2:119]>>[C:2](=[O:3])([O:4][CH:5]([CH3:6])[CH3:7])[N:38]1[CH2:37][CH2:36][CH:35]([n:32]2[c:28]3[c:27]([c:26]([O:25][c:17]4[c:16]([F:15])[c:23]([F:24])[cH:22][cH:21][c:18]4[C:19]#[N:20])[n:31][cH:30][n:29]3)[cH:34][n:33]2)[CH2:40][CH2:39]1Participants
9
Reactant 8
HCID 962Water
HCID 6344Dichloromethane
HCID 6422Trifluoroacetic acid2×
HCID 7917Isopropyl chloroformate
HCID 81531Diisopropylethylamine
HCID 579648844-(4-Ethoxy-2-fluorophenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
HCID 579649274-[4-(6-Cyano-2,3-difluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
HCID 690162353,4-Difluoro-2-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzonitrileProduct 1
Sources & evidence
- ORD record
- ord-b39536f30b7e4276aa75ec09bd6b7ac2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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