Potassium Cation → N-[5-tert-butyl-3-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-2-ylidene]-N'-cyano-2-methoxy-5-(trifluoromethyl)benzenecarboximidamide

HRID 1563981Notes

Reaction equation

HRID 1563981 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:21]3[c:22]([O:31][CH3:32])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]3)=[N:33][C:34]#[N:35])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:42][OH:43].[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[OH2:44]>>[OH:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:21]3[c:22]([O:31][CH3:32])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]3)=[N:33][C:34]#[N:35])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 866234421-{[(2Z)-5-tert-butyl-2-({(cyanoimino)[2-methoxy-5-(trifluoromethyl)phenyl]methyl}imino)-1,3-thiazol-3(2H)-yl]methyl}cyclobutyl acetate

Product 1

HCID 25172495N-[5-tert-butyl-3-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-2-ylidene]-N'-cyano-2-methoxy-5-(trifluoromethyl)benzenecarboximidamide

Sources & evidence

ORD record
ord-e462b6e081ff4b57871f3db159165d89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…