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

HRID 1548014Notes

Reaction equation

HRID 1548014 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][C:5]1([CH2:10][n:11]2[c:12](=[N:20][C:21](=[N:22][C:23]#[N:24])[c:25]3[c:26]([O:32][CH3:33])[cH:27][cH:28][c:29]([Cl:31])[cH:30]3)[s:13][c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:15]2)[CH2:6][CH2:7][CH2:8][CH2:9]1.[CH3:40][OH:41].[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:42]>>[OH:4][C:5]1([CH2:10][n:11]2[c:12](=[N:20][C:21](=[N:22][C:23]#[N:24])[c:25]3[c:26]([O:32][CH3:33])[cH:27][cH:28][c:29]([Cl:31])[cH:30]3)[s:13][c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:15]2)[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 866234381-{[(2Z)-5-tert-butyl-2-{[(5-chloro-2-methoxyphenyl)(cyanoimino)methyl]imino}-1,3-thiazol-3(2H)-yl]methyl}cyclopentyl acetate

Product 1

HCID 25172084N-[5-tert-butyl-3-[(1-hydroxycyclopentyl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide

Sources & evidence

ORD record
ord-7e412a1b42ad46edb53d4f5c7622b5fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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