Potassium Cation → Methyl 2-[4-[5-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]-3-pyridylmethoxy]phenyl)acetate

HRID 1574967Notes

Reaction equation

HRID 1574967 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:21][OH:22])[cH:18][n:19][cH:20]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[K+:43].[K+:44].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:45].[OH:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:32][cH:33]1.[S:23]([Cl:24])([Cl:25])=[O:26]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:21][O:22][c:28]3[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:32][cH:33]3)[cH:18][n:19][cH:20]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 518900Benzeneacetic acid, 4-hydroxy-, methyl esterHCID 178612255-(5-Methyl-2-phenyl-4-oxazolylmethoxy)-3-pyridylmethanol

Product 1

HCID 68886274Methyl 2-[4-[5-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]-3-pyridylmethoxy]phenyl)acetate

Sources & evidence

ORD record
ord-eceb922c8c3b4ff1aa61187942a93dd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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