Acetone → N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide

HRID 691102Notes

Reaction equation

HRID 691102 reaction equation
[C:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)(=[O:24])[N:25]=[C:26]=[S:27].[CH3:1][O:2][c:3]1[c:4]([NH2:16])[cH:5][c:6]([N:9]2[CH:10]3[CH2:11][O:12][CH:13]([CH2:14]2)[CH2:15]3)[cH:7][cH:8]1.[CH3:28][C:29](=[O:30])[CH3:31]>>[CH3:1][O:2][c:3]1[c:4]([NH:16][C:26]([NH:25][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])=[S:27])[cH:5][c:6]([N:9]2[CH:10]3[CH2:11][O:12][CH:13]([CH2:14]2)[CH2:15]3)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 68284Benzoyl isothiocyanateHCID 227369932-Methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)aniline

Product 1

HCID 22736967N-[[2-methoxy-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]carbamothioyl]benzamide

Sources & evidence

ORD record
ord-864ebb92f9944047a3b9e04dc5affb65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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