Acetate → HCID 67344115, compound

HRID 1238645Notes

Reaction equation

HRID 1238645 reaction equation
[B-:23]([F:24])([F:25])([F:26])[F:27].[C:28]([P:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])([CH3:39])[CH3:40].[C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)(=[O:48])[NH:49][c:50]1[c:51]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[cH:59][cH:60][c:61]([Br:63])[cH:62]1.[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH3:10][CH2:11][CH2:12][CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH2:21][CH3:22].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH3:92][N:93]([CH3:94])[C:95](=[O:96])[CH3:97].[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH2:6])[cH:7][cH:8][cH:9]1.[OH:64][C:65]([CH2:66][C:67]([C:68](=[O:69])[OH:70])([CH2:71][C:72](=[O:73])[OH:74])[OH:75])=[O:76].[Pd+2:81]>>[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][c:61]2[cH:60][cH:59][c:51]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:50]([NH:49][C:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[O:48])[cH:62]2)[cH:7][cH:8][cH:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 311Citric AcidHCID 7622TributylamineHCID 8857Ethyl AcetateHCID 14905m-ChlorostyreneHCID 26255TetrafluoroborateHCID 31374DimethylacetamideHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67343005Tert-butyl 2-(benzamido)-4-bromobenzoate

Product 1

HCID 67344115HCID 67344115, compound

Sources & evidence

ORD record
ord-f89d1120fa284beda1fc4449c3b92687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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