Dichloromethane → Ethyl 3-(4-(5-fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamido)phenyl)-2-methylpropanoate

HRID 2156309Notes

Reaction equation

HRID 2156309 reaction equation
[CH2:47]([N:48]([CH2:49][CH3:50])[CH2:51][CH3:52])[CH3:53].[CH2:54]([P:55]([OH:56])(=[O:57])[OH:58])[CH2:59][CH3:60].[Cl:61][CH2:62][Cl:63].[F:16][c:17]1[c:18]([F:19])[c:20]([C:21]([OH:22])=[O:23])[c:24]2[c:30]([cH:31]1)[CH2:29][C:26]([CH3:27])([CH3:28])[O:25]2.[F:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[OH:15])[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2.[NH2:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][CH:40]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH3:46])[cH:37][cH:38]1>>[F:1][c:2]1[cH:3][c:4]([C:13](=[O:15])[NH:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][CH:40]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH3:46])[cH:37][cH:38]2)[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 204484Propylphosphonic acidHCID 46941402Ethyl 3-(4-aminophenyl)-2-methylpropanoateHCID 585663065,6-difluoro-2,2-dimethyl-3H-benzofuran-7-carboxylic acidHCID 585664155-Fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid

Product 1

HCID 67405616Ethyl 3-(4-(5-fluoro-2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamido)phenyl)-2-methylpropanoate

Sources & evidence

ORD record
ord-68dc844570b64f6f94b61fb41f9d9741
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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