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

HRID 1126175Notes

Reaction equation

HRID 1126175 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20](=[N:21][C:22]#[N:23])[c:24]3[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]3)[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:39][OH:40].[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[OH2:41]>>[OH:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20](=[N:21][C:22]#[N:23])[c:24]3[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]3)[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 866234401-{[(2Z)-5-tert-butyl-2-{[(5-chloro-2-methoxyphenyl)(cyanoimino)methyl]imino}-1,3-thiazol-3(2H)-yl]methyl}cyclobutyl acetate

Product 1

HCID 25172289N-[5-tert-butyl-3-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide

Sources & evidence

ORD record
ord-831923813fee44ca8d652d87ab9324e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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