Acetate → 3-(4-Benzyloxycarbonylamino-2-fluoro-phenyl)-acrylic Acid Ethyl Ester

HRID 2138753Notes

Reaction equation

HRID 2138753 reaction equation
[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][CH3:26].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([F:18])[c:14]([Br:17])[cH:15][cH:16]1)=[O:19].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd+2:64].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][c:11]1[cH:12][c:13]([F:18])[c:14]([CH:22]=[CH:21][C:20](=[O:23])[O:24][CH2:25][CH3:26])[cH:15][cH:16]1)=[O:19]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8821Ethyl AcrylateHCID 11776TriphenylphosphineHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67274244N-(4-bromo-3-fluorophenyl)carbamic acid phenylmethyl ester

Product 1

HCID 672740363-(4-Benzyloxycarbonylamino-2-fluoro-phenyl)-acrylic Acid Ethyl Ester

Sources & evidence

ORD record
ord-998436c8a9704e148b1788eee593eec4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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