Methanol → 5-[3-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

HRID 205408Notes

Reaction equation

HRID 205408 reaction equation
[CH3:30][c:31]1[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1.[CH3:89][OH:90].[CH:80]([N:81]([CH2:82][CH3:83])[CH:84]([CH3:85])[CH3:86])([CH3:87])[CH3:88].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[NH2:41][C:42]1([C:47](=[O:48])[NH:49][S:50](=[O:51])(=[O:52])[CH:53]2[CH2:54][CH2:55]2)[CH:43]([CH:45]=[CH2:46])[CH2:44]1.[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:41][C:42]4([C:47](=[O:48])[NH:49][S:50](=[O:51])(=[O:52])[CH:53]5[CH2:54][CH2:55]5)[CH:43]([CH:45]=[CH2:46])[CH2:44]4)[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 222502241-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamideHCID 592754243-[2-(4-Fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid

Product 1

HCID 672918375-[3-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Sources & evidence

ORD record
ord-f2c109c6aba7475ebe5f5a26cfe9ef64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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