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

HRID 699814Notes

Reaction equation

HRID 699814 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:32][CH3:33])[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[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.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:44][C:45]#[N:46].[NH2:41][C:42]#[N:43]>>[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:32][CH3:33])[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]3)=[N:43][C:42]#[N:41])[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 86623443(Z)-1-((5-tert-butyl-2-(2-methoxy-5-(trifluoromethyl)phenylcarbonothioylimino)thiazol-3(2H)-yl)methyl)cyclobutyl acetate

Product 1

HCID 866234421-{[(2Z)-5-tert-butyl-2-({(cyanoimino)[2-methoxy-5-(trifluoromethyl)phenyl]methyl}imino)-1,3-thiazol-3(2H)-yl]methyl}cyclobutyl acetate

Sources & evidence

ORD record
ord-7fb02fc44c2e4d96a23694688b30b8a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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