Dimethylformamide → 2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide

HRID 2312595Notes

Reaction equation

HRID 2312595 reaction equation
[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[Cl:1][c:2]1[c:3]([F:27])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:22])[N:9]([CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:10]2)[c:23]([F:26])[cH:24][cH:25]1.[NH2:28][c:29]1[n:30][n:31]([CH2:34][C:35]([CH3:36])([OH:37])[CH3:38])[cH:32][cH:33]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[Cl:1][c:2]1[c:3]([F:27])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:22])[N:9]([CH:11]([C:12](=[O:14])[NH:28][c:29]3[n:30][n:31]([CH2:34][C:35]([CH3:36])([OH:37])[CH3:38])[cH:32][cH:33]3)[CH2:15][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[CH2:10]2)[c:23]([F:26])[cH:24][cH:25]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 593449381-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-olHCID 669000592-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexylpropanoic acid

Product 1

HCID 668991512-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide

Sources & evidence

ORD record
ord-8b839798c5d74b2aaac0147c1cd0d0f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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