Potassium Cation → [2-(1,1-Dioxo-tetrahydro-thiophen-3-yl)-1,2,3,4-tetrahydro-isoquinolin-5-yl]-[3-(6-methoxy-pyridazin-3-yl)-4-methyl-phenyl]-amine

HRID 1207926

Reaction equation

HRID 1207926 reaction equation
[Br:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([CH:12]1[CH2:13][S:14](=[O:17])(=[O:18])[CH2:15][CH2:16]1)[CH2:5][CH2:4]2.[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][c:29]([NH2:30])[cH:31][cH:32][c:33]2[CH3:34])[n:25][n:26]1.[K+:40].[K+:41].[K+:42].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]1[CH2:100][CH2:101][O:102][CH2:103][CH2:104]1.[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd:43].[Pd:44]>>[c:2]1([NH:30][c:29]2[cH:28][c:27](-[c:24]3[cH:23][cH:22][c:21]([O:20][CH3:19])[n:26][n:25]3)[c:33]([CH3:34])[cH:32][cH:31]2)[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([CH:12]1[CH2:13][S:14](=[O:17])(=[O:18])[CH2:15][CH2:16]1)[CH2:5][CH2:4]2

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 583178905-Bromo-2-(1,1-dioxo-tetrahydro-thiophen-3-yl)-1,2,3,4-tetrahydro-isoquinolineHCID 672124083-(6-Methoxypyridazin-3-yl)-4-methylaniline

Product 1

HCID 57493300[2-(1,1-Dioxo-tetrahydro-thiophen-3-yl)-1,2,3,4-tetrahydro-isoquinolin-5-yl]-[3-(6-methoxy-pyridazin-3-yl)-4-methyl-phenyl]-amine

Sources & evidence

ORD record
ord-2b3102cc1ea542e9807b687c8fc49ecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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