Dimethylformamide → Methyl 2-[[4-[4-[[4-(furan-3-yl)-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate

HRID 1544555Notes

Reaction equation

HRID 1544555 reaction equation
[CH3:19][O:20][C:21]([CH:22]([CH:23]([CH3:24])[CH3:25])[NH:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][cH:38][c:39]([NH2:42])[cH:40][cH:41]2)[cH:34][cH:35]1)=[O:43].[CH:71]([N:72]([CH2:73][CH3:74])[CH:75]([CH3:76])[CH3:77])([CH3:78])[CH3:79].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][P+:53]([N:54]([CH3:55])[CH3:56])([N:57]([CH3:58])[CH3:59])[N:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[o:1]1[cH:2][c:3](-[c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]2[c:12]([CH3:18])[c:13]([C:15](=[O:16])[OH:17])[o:14]3)[cH:4][cH:5]1>>[o:1]1[cH:2][c:3](-[c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]2[c:12]([CH3:18])[c:13]([C:15](=[O:17])[NH:42][c:39]2[cH:38][cH:37][c:36](-[c:33]4[cH:32][cH:31][c:30]([S:27]([NH:26][CH:22]([C:21]([O:20][CH3:19])=[O:43])[CH:23]([CH3:24])[CH3:25])(=[O:28])=[O:29])[cH:35][cH:34]4)[cH:41][cH:40]2)[o:14]3)[cH:4][cH:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 66909162Methyl 2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoateHCID 687127394-Furan-3-yl-3-methyl-benzofuran-2-carboxylic acid

Product 1

HCID 68712308Methyl 2-[[4-[4-[[4-(furan-3-yl)-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate

Sources & evidence

ORD record
ord-34dc155c108f4b1cb386bb74cf48e449
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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