Acetate → 4-(3-methyl-3H-imidazol-4-yl)-benzoic acid methyl ester

HRID 1571489Notes

Reaction equation

HRID 1571489 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:13][O:14][C:15]([c:16]1[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]1)=[O:23].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:7][n:8]1[cH:9][n:10][cH:11][cH:12]1.[Cs+:5].[Cs+:6].[Na+:44].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[OH-:43].[Pd+2:45].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:7][n:8]1[cH:9][n:10][cH:11][c:12]1-[c:19]1[cH:18][cH:17][c:16]([C:15]([O:14][CH3:13])=[O:23])[cH:21][cH:20]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 961HydroxideHCID 13901-MethylimidazoleHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 69273Methyl 4-iodobenzoateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 113333954-(3-methyl-3H-imidazol-4-yl)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-6d455132bd8b4944a7c8f63f5a630dac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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