HRID806796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76300

Ethyl 4-bromobutyrate

C6H11BrO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1Cl

HCID44128904

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCN1CCc2ccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cc2CC1

HCID59403483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dd834bd87244572acf19ee10bcc8e96
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:38][CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:2][c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]4)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[ClH:1].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[Cl:2][c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[CH2:22][CH2:23][N:24]([CH2:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:25][CH2:26]4)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12]