Acetate → HCID 68711230, compound

HRID 1202446Notes

Reaction equation

HRID 1202446 reaction equation
[Br:1][c:2]1[c:3]([CH3:22])[c:4]([CH3:21])[c:5]2[c:6]([c:19]1[CH3:20])[CH:7]([c:10]1[cH:11][cH:12][c:13]([CH:16]([CH3:17])[CH3:18])[cH:14][cH:15]1)[CH2:8][O:9]2.[C:90]([O-:91])(=[O:92])[CH3:93].[C:95]([O-:96])(=[O:97])[CH3:98].[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[NH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Na+:82].[OH2:99].[Pd+2:94].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[c:2]1([NH:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([CH3:22])[c:4]([CH3:21])[c:5]2[c:6]([c:19]1[CH3:20])[CH:7]([c:10]1[cH:11][cH:12][c:13]([CH:16]([CH3:17])[CH3:18])[cH:14][cH:15]1)[CH2:8][O:9]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7504BenzylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 23114095HCID 23114095, compound

Product 1

HCID 68711230HCID 68711230, compound

Sources & evidence

ORD record
ord-b733019828894b24b4bdde9d541ac986
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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