Acetate → HCID 66958681, compound

HRID 679783Notes

Reaction equation

HRID 679783 reaction equation
[Br:1][c:2]1[c:3]([C:13]#[N:14])[n:4][n:5]([CH2:9][CH2:10][CH2:11][CH3:12])[c:6]1[CH2:7][CH3:8].[CH2:71]([OH:72])[CH2:73][CH3:74].[CH3:15][C:16]([C:17](=[O:18])[NH:19][c:20]1[c:21]([B:26]([OH:27])[OH:28])[cH:22][cH:23][cH:24][cH:25]1)([CH3:29])[CH3:30].[CH3:65][O:66][C:67]([CH3:68])([CH3:69])[CH3:70].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:75].[Pd+2:56].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:21]2[c:20]([NH:19][C:17]([C:16]([CH3:15])([CH3:29])[CH3:30])=[O:18])[cH:25][cH:24][cH:23][cH:22]2)[c:3]([C:13]#[N:14])[n:4][n:5]([CH2:9][CH2:10][CH2:11][CH3:12])[c:6]1[CH2:7][CH3:8]

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 66958379HCID 66958379, compound

Product 1

HCID 66958681HCID 66958681, compound

Sources & evidence

ORD record
ord-a03ee6d50bd14018b8fa628d49a30ec3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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