Acetate → Tert-butyl 2-benzamido-4-[2-(4-nitrophenyl)ethenyl]benzoate

HRID 87484Notes

Reaction equation

HRID 87484 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[NH:32][c:33]1[c:34]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43][c:44]([CH:46]=[CH2:47])[cH:45]1.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH3:19])[CH2:20][CH2:21][CH2:22][CH3:23].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH3:76][N:77]([CH3:78])[C:79](=[O:80])[CH3:81].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60].[Pd+2:65]>>[c:2]1([CH:47]=[CH:46][c:44]2[cH:43][cH:42][c:34]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:33]([NH:32][C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:45]2)[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 311Citric AcidHCID 7622TributylamineHCID 8857Ethyl AcetateHCID 114661-Bromo-4-nitrobenzeneHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67343635Tert-butyl 2-(benzamido)-4-vinylbenzoate

Product 1

HCID 67344732Tert-butyl 2-benzamido-4-[2-(4-nitrophenyl)ethenyl]benzoate

Sources & evidence

ORD record
ord-7c02badb70f046bf99200f9ac8b4fb3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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