Ethanol → (4-Hydroxy-piperidin-1-yl)-{4-[4-(4-pyridin-4-yl-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexyl}-methanone

HRID 87730

Reaction equation

HRID 87730 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]5)[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:139][CH2:140][OH:141].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[cH:42][cH:43][n:44][cH:45][cH:46]2)[O:47]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Na+:52].[Na+:53].[OH2:61].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:41]2[cH:42][cH:43][n:44][cH:45][cH:46]2)[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]5)[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27346484-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 67426733{4-[4-(4-Bromo-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexyl}-(4-hydroxy-piperidin-1-yl)-methanoneHCID 178420554HCID 178420554, compound

Product 1

HCID 46834350(4-Hydroxy-piperidin-1-yl)-{4-[4-(4-pyridin-4-yl-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexyl}-methanone

Sources & evidence

ORD record
ord-68ba12bc18a64d8fa02b968e360e5b48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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