Acetate → HCID 66759427, compound

HRID 196191Notes

Reaction equation

HRID 196191 reaction equation
[Br:7][c:8]1[c:9]([CH3:21])[c:10]([CH3:20])[c:11]2[c:12]([cH:19]1)[C:13](=[O:18])[C:14]([CH3:16])([CH3:17])[O:15]2.[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[NH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Na+:6].[OH2:91].[Pd+2:80].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[c:8]1([NH:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:9]([CH3:21])[c:10]([CH3:20])[c:11]2[c:12]([cH:19]1)[C:13](=[O:18])[C:14]([CH3:16])([CH3:17])[O:15]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7504BenzylamineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 667597135-bromo-2,2,6,7-tetramethyl-1-benzofuran-3(2H)-one

Product 1

HCID 66759427HCID 66759427, compound

Sources & evidence

ORD record
ord-2713bc2de8464ec488b657e89777a52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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