Acetonitrile → 4-Difluoromethoxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester

HRID 194553

Reaction equation

HRID 194553 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[O:16][CH2:17][C:18](=[O:19])[c:20]2[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]2)[CH2:10][CH:11]([OH:13])[CH2:12]1.[CH3:37][C:38]#[N:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[F:27][C:28]([S:29]([F:30])(=[O:31])=[O:32])([C:33]([OH:34])=[O:35])[F:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[O:16][CH2:17][C:18](=[O:19])[c:20]2[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]2)[CH2:10][CH:11]([O:13][CH:28]([F:27])[F:36])[CH2:12]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 27375162,2-Difluoro-2-(fluorosulfonyl)acetic acidHCID 666209004-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester

Product 1

HCID 666212034-Difluoromethoxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester

Sources & evidence

ORD record
ord-3a4856bb32f444b4abff2effdd79b114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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