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

HRID 2124758Notes

Reaction equation

HRID 2124758 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[c:6]([c:7]([OH:28])[c:8]3[c:12]1[C:11](=[O:13])[N:10]([c:14]1[c:15]([F:26])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:18][cH:19]1)[C:9]3=[O:27])[cH:29][cH:30][cH:31][cH:32]2.[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]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]2[c:6]([c:7]([O:44][CH2:45][C:46]([F:47])([F:48])[F:49])[c:8]3[c:12]1[C:11](=[O:13])[N:10]([c:14]1[c:15]([F:26])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:18][cH:19]1)[C:9]3=[O:27])[cH:29][cH:30][cH:31][cH:32]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 58012505Ethyl {4-[4-(ethyloxy)-9-hydroxy-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-3-fluorophenyl}acetate

Product 1

HCID 58012494Ethyl (4-{4-(ethyloxy)-1,3-dioxo-9-[(2,2,2-trifluoroethyl)oxy]-1,3-dihydro-2H-benzo[f]isoindol-2-yl}-3-fluorophenyl)acetate

Sources & evidence

ORD record
ord-de5b5ad6c25442f9a9797743aeed3646
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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