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

HRID 198335Notes

Reaction equation

HRID 198335 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:29][CH3:30])[cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]3)=[N:31][C:32]#[N:33])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:40][OH:41].[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:42]>>[OH:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:21]3[c:22]([O:29][CH3:30])[cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]3)=[N:31][C:32]#[N:33])[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 87179539[1-[[5-tert-butyl-2-[N-cyano-C-(5-cyano-2-methoxyphenyl)carbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclobutyl] acetate

Product 1

HCID 25172290N-[5-tert-butyl-3-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-2-ylidene]-N',5-dicyano-2-methoxybenzenecarboximidamide

Sources & evidence

ORD record
ord-1a855f0678a646dea010f5cab32d4f69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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