Acetate → Tert-butyl 4-(2,4-difluorophenyl)-2-nitrobenzoate

HRID 151145Notes

Reaction equation

HRID 151145 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH3:52])[cH:53][cH:54][cH:55][c:56]2[O:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:1][c:2]1[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[Cs+:33].[Cs+:34].[F:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[Pd+2:68]>>[c:2]1(-[c:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343342,4-Difluorophenylboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 63896832Tert-butyl 4-chloro-2-nitrobenzoate

Product 1

HCID 67343403Tert-butyl 4-(2,4-difluorophenyl)-2-nitrobenzoate

Sources & evidence

ORD record
ord-8f2ddb456c4845d1b67750c894fd3c72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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