Acetic Acid → Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]malonate

HRID 194614Notes

Reaction equation

HRID 194614 reaction equation
[Br:25][CH2:26][N:27]1[C:28](=[O:37])[c:29]2[c:30]([cH:33][cH:34][cH:35][cH:36]2)[C:31]1=[O:32].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:3][c:4]1[c:5]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[H-:1].[Na+:2].[OH2:47]>>[Cl:3][c:4]1[c:5]([C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:26][N:27]2[C:28](=[O:37])[c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[C:31]2=[O:32])[n:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 792441H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-HCID 166653HydrideHCID 2774041Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate

Product 1

HCID 22637220Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]malonate

Sources & evidence

ORD record
ord-4f1c48c827e14a29a0a8efae58626303
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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