Water → 3-trimethylsilylethynyl-4-methyl-N-[4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl]benzamide

HRID 147300Notes

Reaction equation

HRID 147300 reaction equation
[CH3:44][Si:45]([CH3:46])([CH3:47])[C:48]#[CH:49].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cu:50][I:51].[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([C:22]([F:23])([F:24])[F:25])[c:11]([CH2:14][N:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:26][cH:27][c:28]1[CH3:29].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:58]>>[c:2]1([C:49]#[C:48][Si:45]([CH3:44])([CH3:46])[CH3:47])[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][c:10]([C:22]([F:23])([F:24])[F:25])[c:11]([CH2:14][N:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[cH:12][cH:13]2)[cH:26][cH:27][c:28]1[CH3:29]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 81531DiisopropylethylamineHCID 468389103-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

Product 1

HCID 689162413-trimethylsilylethynyl-4-methyl-N-[4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl]benzamide

Sources & evidence

ORD record
ord-314315f4cf044e038f0c88cd46245318
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…