Dimethylformamide → (5-Chloro-6-phenylethynyl-1H-benzoimidazol-2-ylsulfanylmethyl)-phosphonic acid diethyl ester

HRID 1203628Notes

Reaction equation

HRID 1203628 reaction equation
[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][S:10][c:11]1[n:12][c:13]2[c:14]([nH:15]1)[cH:16][c:17]([Cl:21])[c:18]([I:20])[cH:19]2.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cu:48][I:49].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[c:22]1([C:28]#[CH:29])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][S:10][c:11]1[nH:12][c:13]2[c:14]([n:15]1)[cH:16][c:17]([Cl:21])[c:18]([C:29]#[C:28][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:19]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10821PhenylacetyleneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 58422987(6-Chloro-5-iodo-1H-benzoimidazol-2-ylsulfanylmethyl)-phosphonic acid diethyl ester

Product 1

HCID 58422995(5-Chloro-6-phenylethynyl-1H-benzoimidazol-2-ylsulfanylmethyl)-phosphonic acid diethyl ester

Sources & evidence

ORD record
ord-841aeff0e2624d4eaa30639c208452ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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