Dimethyl Sulfoxide → 4-(2-Dimethylaminomethyl-imidazol-1-yl)-benzoic acid methyl ester

HRID 1126796Notes

Reaction equation

HRID 1126796 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([I:10])[cH:8][cH:9]1)=[O:11].[CH3:41][S:42]([CH3:43])=[O:44].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cu:45][I:46].[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26].[cH:27]1[cH:28][c:29]2[cH:30][cH:31][c:32]3[c:33]([c:34]2[n:35][cH:36]1)[n:37][cH:38][cH:39][cH:40]3.[nH:12]1[c:13]([CH2:17][N:18]([CH3:19])[CH3:20])[n:14][cH:15][cH:16]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[n:12]2[c:13]([CH2:17][N:18]([CH3:19])[CH3:20])[n:14][cH:15][cH:16]2)[cH:8][cH:9]1)=[O:11]

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 13181,10-PhenanthrolineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 69273Methyl 4-iodobenzoateHCID 11457689((1H-imidazol-2-yl)methyl)dimethylamine

Product 1

HCID 694915164-(2-Dimethylaminomethyl-imidazol-1-yl)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-bbec437d2a594aa0b4833e77a8826090
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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