Acetonitrile → Tert-butyl 3-tert-butoxycarbonylmethyl-5-chloro-2-oxo-2,3-dihydrobenzimidazole-1-carboxylate

HRID 1201094Notes

Reaction equation

HRID 1201094 reaction equation
[Br:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][C:35]#[N:36].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:7](=[O:9])[nH:8]2)[cH:17][cH:18]1.[Cs+:32].[Cs+:33]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:7](=[O:9])[n:8]2[CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 79177tert-Butyl bromoacetateHCID 104967Cesium cation2×HCID 10468275tert-Butyl 5-chloro-2-oxo-2,3-dihydrobenzimidazole-1-carboxylate

Product 1

HCID 66754580Tert-butyl 3-tert-butoxycarbonylmethyl-5-chloro-2-oxo-2,3-dihydrobenzimidazole-1-carboxylate

Sources & evidence

ORD record
ord-f8f4067d67d04834ae2a5b347ebe5064
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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