Dimethylformamide → methyl 2-[4-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]phenoxy]propionate

HRID 674553Notes

Reaction equation

HRID 674553 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH:26]([C:27](=[O:28])[O:29][CH3:30])[CH3:31])[cH:32][cH:33]1.[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([OH:8])[cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([O:8][CH2:20][c:21]2[cH:22][cH:23][c:24]([O:25][CH:26]([C:27](=[O:28])[O:29][CH3:30])[CH3:31])[cH:32][cH:33]2)[cH:7]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 2855718-Crown-6HCID 142799031-(2-Fluoro-4-hydroxyphenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-oneHCID 18981037Methyl 2-(4-chloromethylphenoxy)propionate

Product 1

HCID 18981033methyl 2-[4-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]phenoxy]propionate

Sources & evidence

ORD record
ord-41f8f7b600254e14a9534e40b6c2ab89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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