Water → HCID 72344442, compound

HRID 1537282Notes

Reaction equation

HRID 1537282 reaction equation
[Br:36][c:37]1[cH:38][cH:39][c:40](=[O:46])[n:41]([CH2:43][CH2:44][F:45])[cH:42]1.[C:47](=[O:48])([O-:49])[O-:50].[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cs+:51].[Cs+:52].[OH2:106].[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35].[Pd:65]([Cl:66])[Cl:67].[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:37]3[cH:38][cH:39][c:40](=[O:46])[n:41]([CH2:43][CH2:44][F:45])[cH:42]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]

Participants

10

Reactant 9

HCID 962WaterHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 596357565-Bromo-1-(2-fluoroethyl)pyridin-2(1H)-oneHCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

Product 1

HCID 72344442HCID 72344442, compound

Sources & evidence

ORD record
ord-e688996a05cc46e8af15330129262664
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…