Bicarbonate Ion → 2-(5-Bromo-2-fluorophenyl)-2-difluoromethyl-1-(2-nitro-benzenesulfonyl)-aziridine

HRID 2133731Notes

Reaction equation

HRID 2133731 reaction equation
[C:29](=[O:30])([O-:31])[OH:32].[CH3:34][C:35]#[N:36].[K+:33].[N+:16](=[O:17])([O-:18])[c:19]1[c:20]([S:25](=[O:26])(=[O:27])[Cl:28])[cH:21][cH:22][cH:23][cH:24]1.[NH2:1][C:2]([CH2:3][OH:4])([CH:5]([F:6])[F:7])[c:8]1[c:9]([F:15])[cH:10][cH:11][c:12]([Br:14])[cH:13]1>>[N:1]1([S:25]([c:20]2[c:19]([N+:16](=[O:17])[O-:18])[cH:24][cH:23][cH:22][cH:21]2)(=[O:26])=[O:27])[C:2]([CH:5]([F:6])[F:7])([c:8]2[c:9]([F:15])[cH:10][cH:11][c:12]([Br:14])[cH:13]2)[CH2:3]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 6342AcetonitrileHCID 155402-Nitrobenzenesulfonyl chlorideHCID 666660992-Amino-2-(5-bromo-2-fluoro-phenyl)-3,3-difluoro-propan-1-ol

Product 1

HCID 866502672-(5-Bromo-2-fluorophenyl)-2-difluoromethyl-1-(2-nitro-benzenesulfonyl)-aziridine

Sources & evidence

ORD record
ord-908911418e9e448898f50e11588e8085
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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