Acetate → 6-cyclopropyl-3,4-dihydro-2H-isoquinolin-1-one

HRID 309894Notes

Reaction equation

HRID 309894 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:13]1([B:16]([OH:17])[OH:18])[CH2:14][CH2:15]1.[CH:19]1([P:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[OH2:45].[Pd+2:46]>>[c:2]1([CH:13]2[CH2:14][CH2:15]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[NH:7][CH2:6][CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 218654506-Bromo-3,4-dihydro-2H-isoquinolin-1-one

Product 1

HCID 574241176-cyclopropyl-3,4-dihydro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-376b54db01094edc8c1f0c906ad5b740
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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