Potassium Cation → 1-[2-(4-{2-[2-(4-Difluoromethoxy-phenyl)-vinyl]-oxazol-4-ylmethoxy}-2-methyl-benzyloxy)-ethyl]-1H-[1,2,3]triazole

HRID 1553397Notes

Reaction equation

HRID 1553397 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1[CH2:8][O:9][CH2:10][CH2:11][n:12]1[n:13][n:14][cH:15][cH:16]1.[CH3:45][C:46](=[O:47])[CH2:48][CH3:49].[Cl:24][CH2:25][c:26]1[n:27][c:28]([CH:31]=[CH:32][c:33]2[cH:34][cH:35][c:36]([O:39][CH:40]([F:41])[F:42])[cH:37][cH:38]2)[o:29][cH:30]1.[Cs+:22].[Cs+:23].[I-:44].[K+:43]>>[CH3:1][c:2]1[cH:3][c:4]([O:17][CH2:25][c:26]2[n:27][c:28]([CH:31]=[CH:32][c:33]3[cH:34][cH:35][c:36]([O:39][CH:40]([F:41])[F:42])[cH:37][cH:38]3)[o:29][cH:30]2)[cH:5][cH:6][c:7]1[CH2:8][O:9][CH2:10][CH2:11][n:12]1[n:13][n:14][cH:15][cH:16]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 691125744-(Chloromethyl)-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-1,3-oxazoleHCID 692910153-Methyl-4-(2-[1,2,3]triazol-1-yl-ethoxymethyl)-phenol

Product 1

HCID 692923021-[2-(4-{2-[2-(4-Difluoromethoxy-phenyl)-vinyl]-oxazol-4-ylmethoxy}-2-methyl-benzyloxy)-ethyl]-1H-[1,2,3]triazole

Sources & evidence

ORD record
ord-ae2dd93e3ee64cfab91c747c46379942
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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