Hydrochloric Acid → 3-(2,6-Dichloro-phenyl)-2-[4-(2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid methyl ester

HRID 1547602Notes

Reaction equation

HRID 1547602 reaction equation
[CH3:2][O:3][C:4]([CH:5]([CH2:6][c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])[NH2:15])=[O:16].[CH3:62][C:63]#[N:64].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:26]1([CH2:27][CH:28]([N:29]2[C:48](=[O:61])[CH:49]=[C:50]([O:52][c:53]3[c:54]([F:60])[cH:55][cH:56][cH:57][c:58]3[F:59])[CH2:51]2)[C:30]([NH:31][c:32]2[cH:33][cH:34][n:35]([CH2:36][C:37]([OH:38])([CH3:39])[CH3:40])[n:41]2)=[O:42])[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[ClH:1]>>[CH3:2][O:3][C:4]([CH:5]([CH2:6][c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])[N:15]1[C:48](=[O:61])[CH:49]=[C:50]([O:52][c:53]2[c:54]([F:60])[cH:55][cH:56][cH:57][c:58]2[F:59])[CH2:51]1)=[O:16]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 64146734Methyl 2-amino-3-(2,6-dichlorophenyl)propanoateHCID 668999373-cyclohexyl-2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide

Product 1

HCID 668937393-(2,6-Dichloro-phenyl)-2-[4-(2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-dfec11f07cdd460ca8d79c9001dc1738
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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