Acetate → HCID 68902396, compound

HRID 681034Notes

Reaction equation

HRID 681034 reaction equation
[C:64](=[O:65])([OH:66])[O-:67].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:31]([OH:32])[CH2:33][CH2:34][OH:35].[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+:68].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[Pd+2:78].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[n:36]1[cH:37][c:38]([B:42]([OH:43])[OH:44])[cH:39][cH:40][cH:41]1>>[c:2]1(-[c:38]2[cH:37][n:36][cH:41][cH:40][cH:39]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

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 104421,3-PropanediolHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 68903769HCID 68903769, compound

Product 1

HCID 68902396HCID 68902396, compound

Sources & evidence

ORD record
ord-d86b034044af4061a7fa875e6faf9168
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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