Acetate → Ethyl 4-phenyl-2-chlorobenzoate

HRID 281055Notes

Reaction equation

HRID 281055 reaction equation
[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH3:51][CH2:52][OH:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][N:62]([CH:63]=[O:64])[CH3:65].[CH3:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80].[OH2:81].[Pd+2:70].[c:1]1(-[c:7]2[cH:8][c:9]([Cl:21])[c:10]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][CH2:31][CH2:32][P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:1]1(-[c:7]2[cH:8][c:9]([Cl:21])[c:10]([C:63]([O:53][CH2:52][CH3:51])=[O:64])[cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 702EthanolHCID 962WaterHCID 6228DimethylformamideHCID 8058HexaneHCID 8471TriethylamineHCID 812191,3-Bis(diphenylphosphino)propaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 180010793-Chlorobiphenyl-4-yl trifluoromethanesulfonate

Product 1

HCID 18001012Ethyl 4-phenyl-2-chlorobenzoate

Sources & evidence

ORD record
ord-fc0c46f92f024db38cffb4b04c4ec17c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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