HRID184443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2736028

5-(3,5-dichlorophenoxy)furan-2-carbonyl chloride

C11H5Cl3O3

结构：COC(=O)C(Cc1ccccc1)Oc1ccc2cc(C[NH3+])ccc2c1Br

HCID18505291

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccccc1)Oc1ccc2cc(CNC(=O)c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)ccc2c1Br

HCID69137736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a8b2d65e574a0085ceb4dccf0e4ea5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:18][c:19]1[c:20]2[cH:21][cH:22][c:23]([CH2:42][NH3+:43])[cH:24][c:25]2[cH:26][cH:27][c:28]1[O:29][CH:30]([CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[C:38](=[O:39])[O:40][CH3:41].[CH2:52]([Cl:53])[Cl:54].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl-:44].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([C:11](=[O:12])[Cl:13])[o:10]2)[cH:14][c:15]([Cl:17])[cH:16]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([C:11](=[O:12])[NH:43][CH2:42][c:23]3[cH:22][cH:21][c:20]4[c:19]([Br:18])[c:28]([O:29][CH:30]([CH2:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[C:38](=[O:39])[O:40][CH3:41])[cH:27][cH:26][c:25]4[cH:24]3)[o:10]2)[cH:14][c:15]([Cl:17])[cH:16]1