Acetate → HCID 86081340, compound

HRID 310245Notes

Reaction equation

HRID 310245 reaction equation
[C:59](=[O:60])([O-:61])[O-:62].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:65]([CH2:66][CH3:67])[SH:68].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:11])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12].[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Cs+:63].[Cs+:64].[Pd+2:78].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][cH:27][cH:28][cH:29]3)[c:30]2-[c:31]2[c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[cH:38][cH:39][c:40]2[P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([S:68][CH2:65][CH2:66][CH3:67])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 3283Diethyl EtherHCID 7848Propyl mercaptanHCID 19660Carbonate IonHCID 93237Methyl 2,6-dichloroisonicotinateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-

Product 1

HCID 86081340HCID 86081340, compound

Sources & evidence

ORD record
ord-6c0d551177b14ab49dbdddbcac583636
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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