Acetate → HCID 66789903, compound

HRID 136527Notes

Reaction equation

HRID 136527 reaction equation
[C:70](=[O:71])([O-:72])[O-:73].[C:76]([NH2:77])([O:78][C:79]([CH3:80])([CH3:81])[CH3:82])=[O:83].[C:90]([O-:91])(=[O:92])[CH3:93].[C:95]([O-:96])(=[O:97])[CH3:98].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH3:99][C:100]([OH:101])([CH3:102])[CH3:103].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([CH:17]([CH3:18])[CH3:19])[cH:20][c:21]([CH:22]([CH3:23])[CH3:24])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[Cl:44][c:45]1[cH:46][c:47]([N:52]2[C:53](=[O:69])[C:54]([CH3:67])([CH3:68])[O:55][c:56]3[c:57]2[cH:58][cH:59][c:60]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:61]3)[cH:48][cH:49][c:50]1[F:51].[K+:74].[K+:75].[OH:35][B:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[OH:43].[Pd+2:94]>>[c:45]1([NH:77][C:76]([O:78][C:79]([CH3:80])([CH3:81])[CH3:82])=[O:83])[cH:46][c:47]([N:52]2[C:53](=[O:69])[C:54]([CH3:67])([CH3:68])[O:55][c:56]3[c:57]2[cH:58][cH:59][c:60]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:61]3)[cH:48][cH:49][c:50]1[F:51]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 77922tert-Butyl carbamateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 24744482HCID 24744482, compound

Product 1

HCID 66789903HCID 66789903, compound

Sources & evidence

ORD record
ord-3b921dbaeefb4ea3a4e70af4c865a1fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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