Acetate → 4-tert-butyl-2-chloro-N-[2-(4-fluoro-phenyl)-ethyl]-benzamide

HRID 159724Notes

Reaction equation

HRID 159724 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Cl:19])[c:8]([O:11][S:12]([C:13]([F:14])([F:15])[F:16])(=[O:17])=[O:18])[cH:9][cH:10]1.[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[F:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][NH2:29])[cH:25][cH:26]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[P:30]([CH2:31][CH2:32][CH2:33][P:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Pd+2:68]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Cl:19])[c:8]([C:60]([NH:29][CH2:28][CH2:27][c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:59])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 4653p-FluorophenethylamineHCID 6228DimethylformamideHCID 812191,3-Bis(diphenylphosphino)propaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 17859607Trifluoro-methanesulfonic acid 4-tert-butyl-2-chloro-phenyl ester

Product 1

HCID 693426474-tert-butyl-2-chloro-N-[2-(4-fluoro-phenyl)-ethyl]-benzamide

Sources & evidence

ORD record
ord-7a0501c12183482caa6a13bf8929202b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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