Acetate → HCID 68814679, compound

HRID 1142483Notes

Reaction equation

HRID 1142483 reaction equation
[C:63](=[O:64])([O-:65])[O-:66].[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:11][CH:12]([CH3:13])[CH2:14][CH3:15])[n:7][c:8]([Cl:10])[cH:9]1)=[O:16].[CH3:69][S-:70].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cs+:67].[Cs+:68].[Na+:71].[Pd+2:76].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:30][cH:31][cH:32][cH:33]3)[c:34]2-[c:35]2[c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[cH:42][cH:43][c:44]2[P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:11][CH:12]([CH3:13])[CH2:14][CH3:15])[n:7][c:8]([S:70][CH3:69])[cH:9]1)=[O:16]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 519392MercaptomethanideHCID 634876Binap, (A+-)-HCID 866150062-Sec-butylamino-6-chloro-isonicotinic acid methyl ester

Product 1

HCID 68814679HCID 68814679, compound

Sources & evidence

ORD record
ord-e2b59b6de4af4c9cb336a976624ce581
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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