Sodium ion → Ethyl (3-chloro-4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}phenyl)acetate

HRID 1123054Notes

Reaction equation

HRID 1123054 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:5][cH:6][c:7]1[N:8]1[C:9](=[O:26])[c:10]2[c:11]([O:23][CH2:24][CH3:25])[c:12]3[c:13]([c:14]([OH:18])[c:15]2[C:16]1=[O:17])[cH:19][cH:20][cH:21][cH:22]3.[F:39][C:40]([F:41])([F:42])[S:43]([O:44][CH2:45][C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:52]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:5][cH:6][c:7]1[N:8]1[C:9](=[O:26])[c:10]2[c:11]([O:23][CH2:24][CH3:25])[c:12]3[c:13]([c:14]([O:44][CH2:45][C:46]([F:47])([F:48])[F:49])[c:15]2[C:16]1=[O:17])[cH:19][cH:20][cH:21][cH:22]3

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 58012488Ethyl {3-chloro-4-[4-(ethyloxy)-9-hydroxy-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetate

Product 1

HCID 58012482Ethyl (3-chloro-4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}phenyl)acetate

Sources & evidence

ORD record
ord-ccce831449574ffbb9779666f5eed566
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…