HRID88647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7967

Cyclohexanone

C6H10O

HCID2724942

未命名化合物

HCID17759542

Methyl 5-(3-aminophenyl)-4-bromo-3-(2-(tert-butoxy)-2-oxoethoxy)thiophene-2-carboxylate

C18H20BrNO5S

PRODUCTS

产物

HCID57640828

Methyl 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

C24H30BrNO5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-404ce00cbc65448dbbca251d979f0b88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][C:49](=[O:50])[OH:51].[Cl:52][CH:53]([Cl:54])[CH3:55].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([Br:26])[c:10]([O:17][CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:11]([C:13](=[O:14])[O:15][CH3:16])[s:12]2)[cH:5][cH:6][cH:7]1.[Na+:47].[O:27]=[C:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]([Br:26])[c:10]([O:17][CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[c:11]([C:13](=[O:14])[O:15][CH3:16])[s:12]2)[cH:5][cH:6][cH:7]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1