Potassium Cation → N-(1,4-dioxan-2-ylmethyl)-N'-[6-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-methylsulfamide

HRID 2314983Notes

Reaction equation

HRID 2314983 reaction equation
[CH3:32][n:33]1[n:34][cH:35][c:36]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:37]1.[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])[c:14]([F:31])[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-:47].[K+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[c:2]1(-[c:36]2[cH:35][n:34][n:33]([CH3:32])[cH:37]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])[c:14]([F:31])[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

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6228DimethylformamideHCID 23938Palladium2×HCID 28179Fluoride IonHCID 95417Dibenzylidene acetone3×HCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 57722790N'-(3-chloro-6-fluoro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(1,4-dioxan-2-ylmethyl)-N-methylsulfamide

Product 1

HCID 57722749N-(1,4-dioxan-2-ylmethyl)-N'-[6-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-methylsulfamide

Sources & evidence

ORD record
ord-58033b9a4bd049ce801540b9127f4c2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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