Dimethylformamide → Methyl 3-amino-4-(2,6-dimethylphenylethynyl)-benzoate

HRID 1150160

Reaction equation

HRID 1150160 reaction equation
[CH2:23]([NH:24][CH2:25][CH3:26])[CH3:27].[CH3:13][c:14]1[c:15]([C:21]#[CH:22])[c:16]([CH3:20])[cH:17][cH:18][cH:19]1.[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[Cu:80][I:81].[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[I:12].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[C:22]#[C:21][c:15]1[c:14]([CH3:13])[cH:19][cH:18][cH:17][c:16]1[CH3:20]

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 8021DiethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 130076692-Ethynyl-1,3-dimethylbenzeneHCID 21628210Methyl 3-amino-4-iodobenzoate

Product 1

HCID 66965741Methyl 3-amino-4-(2,6-dimethylphenylethynyl)-benzoate

Sources & evidence

ORD record
ord-d43f43bc45244d32979e1966f1e93f94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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