1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → 3-[2-(3-Trifluoromethyl-5-fluoro-benzoylamino)-acetylamino]-azetidine-1-carboxylic acid tert-butyl ester

HRID 1116038Notes

Reaction equation

HRID 1116038 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH:21]([NH2:23])[CH2:22]1.[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[F:24][c:25]1[cH:26][c:27]([C:38]([F:39])([F:40])[F:41])[cH:28][c:29]([C:30](=[O:31])[NH:32][CH2:33][C:34](=[O:35])[OH:36])[cH:37]1>>[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH:21]([NH:23][C:34]([CH2:33][NH:32][C:30]([c:29]2[cH:28][c:27]([C:38]([F:39])([F:40])[F:41])[cH:26][c:25]([F:24])[cH:37]2)=[O:31])=[O:35])[CH2:22]1

Participants

4

Reactant 3

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 1516507Tert-butyl 3-aminoazetidine-1-carboxylateHCID 66744533(5-Fluoro-3-trifluoromethyl-benzoylamino)-acetic acid

Product 1

HCID 593615843-[2-(3-Trifluoromethyl-5-fluoro-benzoylamino)-acetylamino]-azetidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-22f386b1fc0d472a9c107d521a66f969
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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