Chloride → methyl 3-[7-[3-(dimethylamino)prop-1-yn-1-yl]-1-oxoisoquinolin-2(1H)-yl]-4-methylbenzoate
Reaction equation
[CH3:1][c:2]1[c:3](-[n:12]2[c:13](=[O:30])[c:14]3[cH:15][c:16]([O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][N:39]([CH2:40][C:41]#[CH:42])[CH3:43].[CH3:46][C:47]#[N:48].[Cl-:44].[Cu:90][I:91].[Li+:45].[Pd:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[CH3:1][c:2]1[c:3](-[n:12]2[c:13](=[O:30])[c:14]3[cH:15][c:16]([C:42]#[C:41][CH2:40][N:39]([CH3:38])[CH3:43])[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1Participants
10
Reactant 9
HCID 312Chloride
HCID 6342Acetonitrile
HCID 8471Triethylamine
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 28486Lithium ion
HCID 81643N,N-Dimethylpropargylamine
HCID 86620854methyl 4-methyl-3-[1-oxo-7-{[(trifluoromethyl)sulfonyl]oxy} isoquinolin-2(1H)-yl]benzoateProduct 1
Sources & evidence
- ORD record
- ord-26bbe3fdff3d4338811e57801c825202
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
Loading…