Dimethylformamide → 2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]butanamide

HRID 155662Notes

Reaction equation

HRID 155662 reaction equation
[CH3:22][C:23]1([CH3:35])[O:24][CH2:25][CH:26]([CH2:28][n:29]2[n:30][c:31]([NH2:34])[cH:32][cH:33]2)[O:27]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:16])[N:8]([CH:10]([C:11](=[O:12])[OH:13])[CH2:14][CH3:15])[CH2:9]2)[c:17]([F:21])[cH:18][cH:19][cH:20]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][P+:45]([N:46]([CH3:47])[CH3:48])([N:49]([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:16])[N:8]([CH:10]([C:11](=[O:13])[NH:34][c:31]3[n:30][n:29]([CH2:28][CH:26]4[CH2:25][O:24][C:23]([CH3:22])([CH3:35])[O:27]4)[cH:33][cH:32]3)[CH2:14][CH3:15])[CH2:9]2)[c:17]([F:21])[cH:18][cH:19][cH:20]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 579191601-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamineHCID 675041992-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]butanoic acid

Product 1

HCID 668990152-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]butanamide

Sources & evidence

ORD record
ord-3ad7c41f896240c29d784ceb6c4297d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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