Ethanol → HCID 18455731, compound

HRID 2135112Notes

Reaction equation

HRID 2135112 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:17])[n:6]([C:12]([CH2:13][CH2:14][OH:15])=[O:16])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[C:30](=[O:31])([O-:32])[O-:33].[C:55](=[O:56])([OH:57])[O-:58].[CH2:125]([Cl:126])[Cl:127].[CH3:59][N:60]([CH3:61])[C:62](=[O:63])[CH3:64].[CH3:65][CH2:66][OH:67].[Cl:18][c:19]1[c:20]([B:27]([OH:28])[OH:29])[c:21]([O:25][CH3:26])[cH:22][cH:23][cH:24]1.[K+:34].[K+:35].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:68].[Pd:69].[Pd:70].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[c:2]1(-[c:20]2[c:19]([Cl:18])[cH:24][cH:23][cH:22][c:21]2[O:25][CH3:26])[cH:3][c:4]2[c:5](=[O:17])[n:6]([C:12]([CH2:13][CH2:14][OH:15])=[O:16])[cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

13

Reactant 12

HCID 702EthanolHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938Palladium2×HCID 31374DimethylacetamideHCID 95417Dibenzylidene acetone3×HCID 33782712-Chloro-6-methoxyphenylboronic acidHCID 18455748HCID 18455748, compound

Product 1

HCID 18455731HCID 18455731, compound

Sources & evidence

ORD record
ord-a29c3fdf17154dc29ba89fdb0df9f891
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…