Acetate → HCID 67049941, compound

HRID 2132351Notes

Reaction equation

HRID 2132351 reaction equation
[C:84](=[O:85])([O-:86])[O-:87].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][OH:11])[cH:8][cH:9]1)=[O:12].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Cl:59][c:60]1[n:61][cH:62][cH:63][cH:64][c:65]1-[c:66]1[n:67][c:68]2[c:69]([n:70]1[CH2:71][CH:72]1[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1)[cH:78][c:79]([F:83])[c:80]([F:82])[cH:81]2.[Cs+:88].[Cs+:89].[O-:102][C:103]([CH3:104])=[O:105].[O-:98][C:99]([CH3:100])=[O:101].[Pd+2:97].[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][cH:6][c:7]([CH2:10][O:11][c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2-[c:66]2[n:67][c:68]3[c:69]([n:70]2[CH2:71][CH:72]2[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]2)[cH:78][c:79]([F:83])[c:80]([F:82])[cH:81]3)[cH:8][cH:9]1)=[O:12]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 81325Methyl 4-(hydroxymethyl)benzoateHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 866522862-(2-chloro-pyridin-3-yl)-1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazole

Product 1

HCID 67049941HCID 67049941, compound

Sources & evidence

ORD record
ord-1d2ddd60914c40c7b330fdaef3a2482a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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