Carbonate Ion → N-[3-[6-[4-[2-(dimethylamino)-1-[methyl(propan-2-yl)amino]-2-oxoethyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Reaction equation
[Br:19][c:20]1[c:21](=[O:46])[n:22]([CH3:45])[cH:23][c:24](-[c:26]2[c:27]([CH3:44])[c:28]([NH:32][C:33](=[O:34])[c:35]3[cH:36][c:37]4[c:38]([s:39]3)[CH2:40][CH2:41][CH2:42][CH2:43]4)[cH:29][cH:30][cH:31]2)[n:25]1.[C:47](=[O:48])([O-:49])[O-:50].[CH2:109]1[O:110][CH2:111][CH2:112][O:113][CH2:114]1.[Cs+:51].[Cs+:52].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[N:11]([CH3:12])[CH3:13])[N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:6][cH:7]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[N:11]([CH3:12])[CH3:13])[N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:6][cH:7]1)[c:20]1[c:21](=[O:46])[n:22]([CH3:45])[cH:23][c:24](-[c:26]2[c:27]([CH3:44])[c:28]([NH:32][C:33](=[O:34])[c:35]3[cH:36][c:37]4[c:38]([s:39]3)[CH2:40][CH2:41][CH2:42][CH2:43]4)[cH:29][cH:30][cH:31]2)[n:25]1Participants
8
Reactant 7
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 576250912-(4-aminophenyl)-N,N-dimethyl-2-[methyl(propan-2-yl)amino]acetamide
HCID 57625151N-(3-(6-Bromo-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-a259403981b04a3191973d567c444d4e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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