HRID664813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2735544

3-Bromo-4-chlorobenzoic acid

C7H4BrClO2

HCID5006170

1-(3-chlorophenyl)ethanamine

C8H10ClN

PRODUCTS

生成物

结构：CC(NC(=O)c1ccc(Cl)c(Br)c1)c1cccc(Cl)c1

HCID68855896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-181fcf7a6efe41b8ab39354a69d098ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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