Acetate → 4-tert-butyl-2-chloro-N-[2-(3-trifluoromethoxy-phenyl)-ethyl]-benzamide

HRID 169218Notes

Reaction equation

HRID 169218 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:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[ClH:20].[F:21][C:22]([O:23][c:24]1[cH:25][c:26]([CH2:30][CH2:31][NH2:32])[cH:27][cH:28][cH:29]1)([F:33])[F:34].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P:42]([CH2:43][CH2:44][CH2:45][P:46]([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)([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[Pd+2:80]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Cl:19])[c:8]([C:72]([NH:32][CH2:31][CH2:30][c:26]2[cH:25][c:24]([O:23][C:22]([F:21])([F:33])[F:34])[cH:29][cH:28][cH:27]2)=[O:71])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 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 esterHCID 222928442-[3-(Trifluoromethoxy)phenyl]ethan-1-amine

Product 1

HCID 695134924-tert-butyl-2-chloro-N-[2-(3-trifluoromethoxy-phenyl)-ethyl]-benzamide

Sources & evidence

ORD record
ord-750d2910b470441b9943192567b39d00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…