Acetate → 1-[2-hydroxy-4-(4-methoxybiphenyl-3-yl)-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one

HRID 692094Notes

Reaction equation

HRID 692094 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[F-:32].[K+:33].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH:34][B:35]([OH:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Pd+2:55]>>[c:2]1(-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 1140TolueneHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 578097571-[4-(5-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one

Product 1

HCID 578097641-[2-hydroxy-4-(4-methoxybiphenyl-3-yl)-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one

Sources & evidence

ORD record
ord-3a9810b673224f9ca8e3ac92ec7b4829
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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