Acetonitrile → [1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclopropyl] acetate

HRID 2135035Notes

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8471Triethylamine

HCID 9864Cyanamide

HCID 87179275[1-[[5-Tert-butyl-2-(5-chloro-2-methoxybenzenecarbothioyl)imino-1,3-thiazol-3-yl]methyl]cyclopropyl] acetate

Product 1

HCID 87179508[1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclopropyl] acetate

Sources & evidence

ORD record: ord-d27d70236b8d45d6ba5dc5598d9bb7ed
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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