Acetate → HCID 68903790, compound

HRID 157533Notes

Reaction equation

HRID 157533 reaction equation
[C:58](=[O:59])([OH:60])[O-:61].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:27]([F:28])([F:29])[F:30])[c:10]([CH2:14][O:15][CH:16]3[CH2:17][N:18]([C:20](=[O:21])[NH:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]3)[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[Na+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[Pd+2:72].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[s:31]1[c:32]([B:36]([OH:37])[OH:38])[cH:33][cH:34][cH:35]1>>[c:2]1(-[c:32]2[s:31][cH:35][cH:34][cH:33]2)[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:27]([F:28])([F:29])[F:30])[c:10]([CH2:14][O:15][CH:16]3[CH2:17][N:18]([C:20](=[O:21])[NH:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]3)[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27339602-Thiopheneboronic acidHCID 68903769HCID 68903769, compound

Product 1

HCID 68903790HCID 68903790, compound

Sources & evidence

ORD record
ord-6bb026423c0346c8926272849bf4fce6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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