Ethanol → 7-Fluoro-6-(2-fluoropyridin-3-yl)-2-phenylchroman-4-one
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[F:12])[O:8][CH:7]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:6][C:5]2=[O:19].[C:30](=[O:31])([O-:32])[O-:33].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[F:20][c:21]1[n:22][cH:23][cH:24][cH:25][c:26]1[B:27]([OH:28])[OH:29].[Na+:34].[Na+:35].[Pd:65]([Cl:66])[Cl:67].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[c:2]1(-[c:26]2[c:21]([F:20])[n:22][cH:23][cH:24][cH:25]2)[cH:3][c:4]2[c:9]([cH:10][c:11]1[F:12])[O:8][CH:7]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:6][C:5]2=[O:19]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d81c4c475145434d951e66c6ffe1549d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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