Acetate → HCID 67343534, compound

HRID 1203087Notes

Reaction equation

HRID 1203087 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][c:10]1[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][c:21]([Br:23])[cH:22]1.[C:33]([P:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1-[c:45]1[c:46]([CH:47]([CH3:48])[CH3:49])[cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]1[CH:57]([CH3:58])[CH3:59])([CH3:60])([CH3:61])[CH3:62].[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH3:24][O:25][c:26]1[cH:27][cH:28][cH:29][c:30]([OH:31])[cH:32]1.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[K+:68].[K+:69].[K+:70].[OH:71][C:72]([CH2:73][C:74]([C:75](=[O:76])[OH:77])([CH2:78][C:79](=[O:80])[OH:81])[OH:82])=[O:83].[P:63]([O-:64])([O-:65])([O-:66])=[O:67].[Pd+2:88]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][c:10]1[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][c:21]([O:31][c:30]2[cH:29][cH:28][cH:27][c:26]([O:25][CH3:24])[cH:32]2)[cH:22]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 311Citric AcidHCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 90073-MethoxyphenolHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 67343005Tert-butyl 2-(benzamido)-4-bromobenzoate

Product 1

HCID 67343534HCID 67343534, compound

Sources & evidence

ORD record
ord-9d79323bf2bb42a7a6a47ac360c2d42c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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