Acetonitrile → 3-(2,4-Difluorophenoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one

HRID 289234Notes

Reaction equation

HRID 289234 reaction equation
[CH2:29]1[CH2:30][CH2:31][C:32]2=[N:37][CH2:36][CH2:35][CH2:34][N:33]2[CH2:38][CH2:39]1.[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1)([CH3:15])[O:16][C:17]([CH2:18][O:19][c:20]1[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]1)=[O:28].[CH3:43][C:44]#[N:45].[Cl:40][CH2:41][Cl:42]>>[CH3:1][C:2]1([CH3:15])[C:3]([c:5]2[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]2)=[C:18]([O:19][c:20]2[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]2)[C:17](=[O:28])[O:16]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 541776212-(2,4-Difluorophenoxy)acetic Acid 2-methyl-1-(4-(methylsulfonyl)phenyl)propan-1-one-2yl Ester

Product 1

HCID 102006403-(2,4-Difluorophenoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one

Sources & evidence

ORD record
ord-bf1c582241aa40719f93c210a2892e12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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