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

HRID 114358Notes

Reaction equation

HRID 114358 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][C:5]1([CH2:8][n:9]2[c:10](=[N:18][C:19](=[N:20][C:21]#[N:22])[c:23]3[c:24]([O:30][CH3:31])[cH:25][cH:26][c:27]([Cl:29])[cH:28]3)[s:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]2)[CH2:6][CH2:7]1.[CH3:38][OH:39].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[OH2:40]>>[OH:4][C:5]1([CH2:8][n:9]2[c:10](=[N:18][C:19](=[N:20][C:21]#[N:22])[c:23]3[c:24]([O:30][CH3:31])[cH:25][cH:26][c:27]([Cl:29])[cH:28]3)[s:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 87179508[1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclopropyl] acetate

Product 1

HCID 25172493N-[5-tert-butyl-3-[(1-hydroxycyclopropyl)methyl]-1,3-thiazol-2-ylidene]-5-chloro-N'-cyano-2-methoxybenzenecarboximidamide

Sources & evidence

ORD record
ord-d53042fe6bed466ebfc352d25da6d579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…