Potassium Cation → N-[5-tert-butyl-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide

HRID 1211148Notes

Reaction equation

HRID 1211148 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][C:5]1([CH2:11][n:12]2[c:13](=[N:21][C:22](=[N:23][C:24]#[N:25])[c:26]3[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([Cl:32])[cH:31]3)[s:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1.[CH3:41][OH:42].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[OH2:43]>>[OH:4][C:5]1([CH2:11][n:12]2[c:13](=[N:21][C:22](=[N:23][C:24]#[N:25])[c:26]3[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([Cl:32])[cH:31]3)[s:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 87179357[1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclohexyl] acetate

Product 1

HCID 25172081N-[5-tert-butyl-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide

Sources & evidence

ORD record
ord-9a7cf862683e4f94ac7c61c704473b2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…