Potassium Cation → Ethyl 2-[4-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylate

HRID 160151Notes

Reaction equation

HRID 160151 reaction equation
[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[Cl:1][c:2]1[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1.[K+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[Pd:41].[Pd:42]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([CH2:13][OH:12])[cH:19][cH:18]2)[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27347064-(Hydroxymethyl)benzeneboronic acidHCID 2763184Ethyl 2-chlorooxazole-4-carboxylate

Product 1

HCID 46834789Ethyl 2-[4-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylate

Sources & evidence

ORD record
ord-4fe8e760fc314151a22f0942926ec2b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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