Chloride → Methyl 4-(4-(4-aminophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate

HRID 303021Notes

Reaction equation

HRID 303021 reaction equation
[Cl-:32].[Cl-:34].[Cl-:35].[Cl-:36].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([C:21](=[S:22])[O:23][CH3:24])[s:18][c:19]3[CH3:20])[s:13][cH:14]2)[cH:8][cH:9]1.[Na+:26].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH-:25].[Ti+4:33]>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([C:21](=[S:22])[O:23][CH3:24])[s:18][c:19]3[CH3:20])[s:13][cH:14]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 312Chloride4×HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)HCID 86758673Methyl 4-(4-(4-nitrophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate

Product 1

HCID 86583820Methyl 4-(4-(4-aminophenyl)(1,3-thiazol-2-yl))-5-methylthiothiophene-2-carboxylate

Sources & evidence

ORD record
ord-a9367266877f4d9dbf803656a56dfa5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…