Dichloromethane → methyl 6-[[2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexylpropanoyl]amino]pyridine-3-carboxylate

HRID 184702Notes

Reaction equation

HRID 184702 reaction equation
[Br:56][P+:57]([N:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1)([N:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1)[N:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[CH3:38][O:39][C:40]([c:41]1[cH:42][n:43][c:44]([NH2:47])[cH:45][cH:46]1)=[O:48].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[Cl:1][c:2]1[c:3]([F:37])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:32])[N:9]([CH:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][n:18]([CH2:19][C:20]([OH:21])([CH3:22])[CH3:23])[n:24]3)[CH2:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH2:10]2)[c:33]([F:36])[cH:34][cH:35]1.[Cl:82][CH2:83][Cl:84].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55]>>[Cl:1][c:2]1[c:3]([F:37])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:32])[N:9]([CH:11]([C:12](=[O:13])[NH:14][c:44]3[n:43][cH:42][c:41]([C:40]([O:39][CH3:38])=[O:48])[cH:46][cH:45]3)[CH2:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH2:10]2)[c:33]([F:36])[cH:34][cH:35]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 737487Methyl 6-aminonicotinateHCID 2733180Bromotripyrrolidin-1-ylphosphoniumHCID 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

Product 1

HCID 67503812methyl 6-[[2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexylpropanoyl]amino]pyridine-3-carboxylate

Sources & evidence

ORD record
ord-c811f78429264abc903b2e80fabaa77c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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