HRID838542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID243025

2-Bromo-5-nitrobenzoic acid

C7H4BrNO4

结构：O=C(NCC(=O)N1CCNCC1)c1ccc(-c2ccccc2)cc1

HCID57855677

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1)c1ccc(-c2ccccc2)cc1

HCID59559617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d098b1bae18a4418a4a095afe0e10715
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[O:44]=[C:45]([CH2:46][NH:47][C:48](=[O:49])[c:50]1[cH:51][cH:52][c:53](-[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:54][cH:55]1)[N:62]1[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[Br:10][c:11]1[c:12]([C:13](=[O:15])[N:65]2[CH2:64][CH2:63][N:62]([C:45](=[O:44])[CH2:46][NH:47][C:48](=[O:49])[c:50]3[cH:51][cH:52][c:53](-[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[cH:54][cH:55]3)[CH2:67][CH2:66]2)[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1