Acetonitrile → 1-{[(2Z)-5-tert-butyl-2-{[(5-chloro-2-methoxyphenyl)(cyanoimino)methyl]imino}-1,3-thiazol-3(2H)-yl]methyl}cyclobutyl acetate

HRID 123741Notes

Reaction equation

HRID 123741 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20](=[S:21])[c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([Cl:28])[cH:27]3)[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:41][C:42]#[N:43].[NH2:38][C:39]#[N:40]>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([Cl:28])[cH:27]3)=[N:40][C:39]#[N:38])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 9864CyanamideHCID 86623441(Z)-1-((5-tert-butyl-2-(5-chloro-2-methoxyphenylcarbonothioylimino)thiazol-3(2H)-yl)methyl)cyclobutyl acetate

Product 1

HCID 866234401-{[(2Z)-5-tert-butyl-2-{[(5-chloro-2-methoxyphenyl)(cyanoimino)methyl]imino}-1,3-thiazol-3(2H)-yl]methyl}cyclobutyl acetate

Sources & evidence

ORD record
ord-2a2950dda0f5409fa2d5b56c865b15e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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