Ethanol → 1-(4-(4-Aminophenyl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl)piperidin-4-one
Reaction equation
[CH2:40]([OH:41])[CH3:42].[CH:1]12[CH2:2][N:3]([c:9]3[n:10][c:11]([N:16]4[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH2:21]4)[n:12][c:13]([Cl:15])[n:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[O:8]2.[NH2:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][cH:39]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[CH:1]12[CH2:2][N:3]([c:9]3[n:10][c:11]([N:16]4[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH2:21]4)[n:12][c:13](-[c:27]4[cH:26][cH:25][c:24]([NH2:23])[cH:29][cH:28]4)[n:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[O:8]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ab9773840c1444b3b63ca669b80aa9bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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