Acetate → HCID 57706531, compound

HRID 310502

Reaction equation

HRID 310502 reaction equation
[CH2:94]1[O:95][CH2:96][CH2:97][CH2:98]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([O:53][CH3:54])[cH:55][cH:56][cH:57][c:58]2[O:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[F:1][c:2]1[c:3](-[c:10]2[c:11]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[F:67][C:68]([F:69])([F:70])[S:71]([O:72][C:73]1=[CH:74][C:75]([CH3:81])([CH3:82])[CH2:76][C:77]([CH3:79])([CH3:80])[CH2:78]1)(=[O:83])=[O:84].[K+:34].[K+:35].[K+:36].[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[OH2:66].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd+2:85]>>[F:1][c:2]1[c:3](-[c:10]2[c:11]([C:73]3=[CH:74][C:75]([CH3:81])([CH3:82])[CH2:76][C:77]([CH3:79])([CH3:80])[CH2:78]3)[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 110873803,3,5,5-Tetramethylcyclohex-1-en-1-yl triflateHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 57706776Methyl 2'-fluoro-5'-(methyloxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,1'-biphenyl-4-carboxylate

Product 1

HCID 57706531HCID 57706531, compound

Sources & evidence

ORD record
ord-0a85c7e912dd49498f4b9979ea84408d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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