Acetate → HCID 66958580, compound

HRID 1129993Notes

Reaction equation

HRID 1129993 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([C:15]#[N:16])[c:11]([Br:14])[c:12]1[CH3:13].[CH2:74]([OH:75])[CH2:76][CH3:77].[CH3:36][C:37]([C:38](=[O:39])[NH:40][c:41]1[c:42]([B:47]([OH:48])[OH:49])[cH:43][cH:44][cH:45][cH:46]1)([CH3:50])[CH3:51].[CH3:67][O:68][C:69]([CH3:70])([CH3:71])[CH3:72].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:73].[Pd+2:58].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([C:15]#[N:16])[c:11](-[c:42]2[c:41]([NH:40][C:38]([C:37]([CH3:36])([CH3:50])[CH3:51])=[O:39])[cH:46][cH:45][cH:44][cH:43]2)[c:12]1[CH3:13]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 41935022-(tert-Butylcarbonylamino)phenylboronic acidHCID 669586391-Benzyl-4-bromo-5-methyl-1H-pyrazole-3-carbonitrile

Product 1

HCID 66958580HCID 66958580, compound

Sources & evidence

ORD record
ord-d939d613cc9e430b86f630a333e3e291
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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