Acetate → Isoquinoline

HRID 1221416Notes

Reaction equation

HRID 1221416 reaction equation
[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[Pd+2:47].[c:12]1([P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[cH:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 737434-BromoisoquinolineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 8405Isoquinoline

Sources & evidence

ORD record
ord-e6f65db6f3ad478ab9b99620ca3a3b13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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