4(5H)-Thiazolone, 2-amino- → 4-[4-(2-Amino-4-oxo-4H-thiazol-5-ylidenemethyl)-2-methoxy-phenoxy]-3-trifluoromethyl-benzonitrile

HRID 145106Notes

Reaction equation

HRID 145106 reaction equation
[CH:8](=[O:9])[c:10]1[cH:11][c:12]([O:29][CH3:30])[c:13]([O:14][c:15]2[c:16]([C:23]([F:24])([F:25])[F:26])[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]2)[cH:27][cH:28]1.[NH2:1][C:2]1=[N:6][C:5](=[O:7])[CH2:4][S:3]1>>[NH2:1][C:2]1=[N:6][C:5](=[O:7])[C:4](=[CH:8][c:10]2[cH:11][c:12]([O:29][CH3:30])[c:13]([O:14][c:15]3[c:16]([C:23]([F:24])([F:25])[F:26])[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]3)[cH:27][cH:28]2)[S:3]1

Participants

3

Reactant 2

HCID 111754(5H)-Thiazolone, 2-amino-HCID 510515074-(4-Formyl-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile

Product 1

HCID 690469634-[4-(2-Amino-4-oxo-4H-thiazol-5-ylidenemethyl)-2-methoxy-phenoxy]-3-trifluoromethyl-benzonitrile

Sources & evidence

ORD record
ord-6dad8d92d58f46089049da5bd77293fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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