Acetate → HCID 178422571, compound

HRID 2146207Notes

Reaction equation

HRID 2146207 reaction equation
[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH:11]1[CH2:12][CH:13]([NH2:41])[N:14]([c:18]2[c:19]([NH:24][C:25](=[O:26])[c:27]3[n:28][c:29]([Br:40])[s:30][c:31]3[NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[cH:20][n:21][n:22]2[CH3:23])[CH2:15][CH2:16][CH2:17]1.[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH2:72]1[O:73][CH2:74][CH2:75][O:76][CH2:77]1.[CH3:78][OH:79].[CH:42]1([c:45]2[cH:46][c:47]([CH3:63])[c:48]([F:62])[c:49]([B:51]3[O:52][C:53](=[O:54])[CH2:55][N:56]([CH3:57])[CH2:58][C:59](=[O:60])[O:61]3)[cH:50]2)[CH2:43][CH2:44]1.[K+:69].[K+:70].[K+:71].[P:64]([O-:65])([O-:66])([O-:67])=[O:68].[Pd+2:84]>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH:11]1[CH2:12][CH:13]([NH2:41])[N:14]([c:18]2[c:19]([NH:24][C:25](=[O:26])[c:27]3[n:28][c:29](-[c:49]4[c:48]([F:62])[c:47]([CH3:63])[cH:46][c:45]([CH:42]5[CH2:43][CH2:44]5)[cH:50]4)[s:30][c:31]3[NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[cH:20][n:21][n:22]2[CH3:23])[CH2:15][CH2:16][CH2:17]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 887MethanolHCID 1061PhosphateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58464728HCID 58464728, compoundHCID 178481873HCID 178481873, compound

Product 1

HCID 178422571HCID 178422571, compound

Sources & evidence

ORD record
ord-592c98814bd44cb29d2367597a8654d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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