Bicarbonate Ion → ethyl (RS)-[3-oxo-2-(2,2,2-trifluoroethyl)-6-trifluoromethyl-2,3-dihydro-1H-isoindol-1-yl]acetate

HRID 2335303Notes

Reaction equation

HRID 2335303 reaction equation
[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:8].[CH2:42]([CH2:43][O:44][CH3:45])[O:46][CH3:47].[H-:16].[Na+:15].[Na+:37].[OH:17][CH:18]1[N:19]([CH2:32][C:33]([F:34])([F:35])[F:36])[C:20](=[O:31])[c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][c:26]21.[OH:38][C:39](=[O:40])[O-:41]>>[CH2:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH:18]1[N:19]([CH2:32][C:33]([F:34])([F:35])[F:36])[C:20](=[O:31])[c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][c:26]21

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 17966419HCID 17966419, compound

Product 1

HCID 57678949ethyl (RS)-[3-oxo-2-(2,2,2-trifluoroethyl)-6-trifluoromethyl-2,3-dihydro-1H-isoindol-1-yl]acetate

Sources & evidence

ORD record
ord-b3c94ec4b7a145ba90e90422086919b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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