Dimethylformamide → 5-(2-Chlorophenylethynyl)-2-methylsulfanylpyrimidine-4-carboxylic acid methyl ester

HRID 97316Notes

Reaction equation

HRID 97316 reaction equation
[CH3:10][O:11][C:12](=[O:13])[c:14]1[n:15][c:16]([S:21][CH3:22])[n:17][cH:18][c:19]1[Br:20].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:1][c:2]1[c:3]([C:8]#[CH:9])[cH:4][cH:5][cH:6][cH:7]1.[Cl:49][CH2:50][Cl:51].[Cu:52][I:53].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[Cl:1][c:2]1[c:3]([C:8]#[C:9][c:19]2[c:14]([C:12]([O:11][CH3:10])=[O:13])[n:15][c:16]([S:21][CH3:22])[n:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5859951-Chloro-2-ethynylbenzeneHCID 2794729Methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate

Product 1

HCID 575569325-(2-Chlorophenylethynyl)-2-methylsulfanylpyrimidine-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-004834314d4a4c5181af7dbde0d48694
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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