HRID144577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6386

tert-Butyl alcohol

C4H10O

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID82130

3-Bromo-4-methylbenzoic acid

C8H7BrO2

HCID18426125

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)cc1Br

HCID18426273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ab0fae7230148a9b59d768f692ca8b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][c:28]1[CH3:29].[CH3:53][C:54]([OH:55])([CH3:56])[CH3:57].[CH:30]([N:31]=[C:32]=[N:33][CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([NH:12][C:13]([CH2:14][NH2:15])=[O:16])[CH2:10][CH2:11]2)[cH:17][cH:18]1.[Cl:49][CH:50]([Cl:51])[Cl:52].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([NH:12][C:13]([CH2:14][NH:15][C:23]([c:22]3[cH:21][c:20]([Br:19])[c:28]([CH3:29])[cH:27][cH:26]3)=[O:24])=[O:16])[CH2:10][CH2:11]2)[cH:17][cH:18]1