Acetate → HCID 68964495, compound

HRID 1145280Notes

Reaction equation

HRID 1145280 reaction equation
[Br: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.[C:102]([O-:103])(=[O:104])[CH3:105].[C:107]([O-:108])(=[O:109])[CH3:110].[C:27](=[O:28])([O-:29])[O-:30].[CH2:18]1[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[NH:26]1.[CH3:111][CH2:112][O:113][C:114](=[O:115])[CH3:116].[CH3:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[Cs+:31].[Cs+:32].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45].[Pd+2:106].[Pd:46].[Pd:47]>>[c:2]1([N:26]2[CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]32)[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

12

Reactant 11

HCID 175Acetate2×HCID 311Citric AcidHCID 1140TolueneHCID 8857Ethyl AcetateHCID 10328IndolineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 26369829tert-Butyl 4-bromo-2-nitrobenzoate

Product 1

HCID 68964495HCID 68964495, compound

Sources & evidence

ORD record
ord-b4f6a604aeac4fd5aeb093427b2948c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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