Acetamide → 6-(6-Acetylamino-pyrimidin-4-yloxy)-isoquinoline-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][c:32]4[n:33][cH:34][n:35][c:36]([Cl:38])[cH:37]4)[cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:112][CH2:113][O:114][C:115]([CH3:116])=[O:117].[CH3:45][C:46]([NH2:47])=[O:48].[Cs+:43].[Cs+:44].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:49].[Pd:56].[Pd:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][c:32]4[n:33][cH:34][n:35][c:36]([NH:47][C:46]([CH3:45])=[O:48])[cH:37]4)[cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1Participants
10
Reactant 9
HCID 178Acetamide
HCID 962Water
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 866386216-(6-Chloro-pyrimidin-4-yloxy)-isoquinoline-1-carboxylic acid [5-tert-butyl-2-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-amideProduct 1
Sources & evidence
- ORD record
- ord-c32038e15b884f1caa5dd4c50918972e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…