3-Aminopropionitrile → 2,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

HRID 1203495Notes

Reaction equation

HRID 1203495 reaction equation
[C:22](#[N:23])[CH2:24][CH2:25][NH2:26].[F:1][CH2:2][C:3]1([CH2:20][F:21])[O:4][c:5]2[c:6]([cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[C:7]([C:9](=[O:10])[OH:11])=[CH:8]1.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[F:1][CH2:2][C:3]1([CH2:20][F:21])[O:4][c:5]2[c:6]([cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[C:7]([C:9](=[O:10])[NH:26][CH2:25][CH2:24][C:22]#[N:23])=[CH:8]1

Participants

4

Reactant 3

HCID 16473-AminopropionitrileHCID 8028TetrahydrofuranHCID 98796402,2-bis(fluoromethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxylic acid

Product 1

HCID 99507522,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

Sources & evidence

ORD record
ord-799e683abbda405c8c43340623674207
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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