Potassium Cation → Sulfamide, N-[(2S)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-
Reaction equation
[CH3:112][OH:113].[CH3:31][n:32]1[n:33][cH:34][c:35]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:36]1.[Cl:109][CH2:110][Cl:111].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[cH:8][cH:9][c:10]1[c:11]([c:12]2=[O:13])[cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[N:22]([CH3:23])[CH2:24][CH:25]2[O:26][CH2:27][CH2:28][O:29][CH2:30]2)[cH:16][cH:17]1.[F-:46].[K+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[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]>>[c:2]1(-[c:35]2[cH:34][n:33][n:32]([CH3:31])[cH:36]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[cH:8][cH:9][c:10]1[c:11]([c:12]2=[O:13])[cH:14][c:15]([NH:18][S:19](=[O:20])(=[O:21])[N:22]([CH3:23])[CH2:24][CH:25]2[O:26][CH2:27][CH2:28][O:29][CH2:30]2)[cH:16][cH:17]1Participants
10
Reactant 9
HCID 813Potassium Cation
HCID 887Methanol
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 23938Palladium2×
HCID 28179Fluoride Ion
HCID 95417Dibenzylidene acetone3×
HCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
HCID 15981079N'-(3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(1,4-dioxan-2-ylmethyl)-N-methylsulfamideProduct 1
Sources & evidence
- ORD record
- ord-269be1f30f60421bab87ec0573203391
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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