HRID1239089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID4640671

4-Bromomethyl benzoyl bromide

C8H6Br2O

HCID57717474

tert-Butyl [2-amino-4-(thiophen-2-yl)phenyl]carbamate

C15H18N2O2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CBr)cc1

HCID57925962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3932b527bf7644769d46c502f3348c76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Br:9])[cH:10][cH:11]1.[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17]([NH:18][c:19]1[c:20]([NH2:30])[cH:21][c:22](-[c:25]2[s:26][cH:27][cH:28][cH:29]2)[cH:23][cH:24]1)=[O:31].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:41][CH2:42][Cl:43].[ClH:44]>>[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:30][c:20]2[c:19]([NH:18][C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:31])[cH:24][cH:23][c:22](-[c:25]3[s:26][cH:27][cH:28][cH:29]3)[cH:21]2)[cH:10][cH:11]1