Ethanol → HCID 18455729, compound

HRID 185487Notes

Reaction equation

HRID 185487 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:29](=[O:30])([O-:31])[O-:32].[C:54](=[O:55])([OH:56])[O-:57].[CH2:124]([Cl:125])[Cl:126].[CH3:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[c:21]([CH3:25])[cH:22][cH:23][cH:24]1.[CH3:58][N:59]([CH3:60])[C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][OH:66].[K+:33].[K+:34].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH2:67].[Pd:68].[Pd:69].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[c:2]1(-[c:20]2[c:19]([CH3:18])[cH:24][cH:23][cH:22][c:21]2[CH3:25])[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 5833222,6-Dimethylphenylboronic acidHCID 18455748HCID 18455748, compound

Product 1

HCID 18455729HCID 18455729, compound

Sources & evidence

ORD record
ord-d9eab67cc70d418488b9c490d678f4e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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