HRID673062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID18617748

未命名化合物

HCID22329709

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Br)ccc5c4)CC3)cc2)ccn1

HCID22329734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-833a9da516324166b9463423c19261f5
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:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][c:23]([S:28](=[O:29])(=[O:30])[N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[cH:24][c:25]2[cH:26][cH:27]1.[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[cH:7]1.[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[ClH:37].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[N:34]3[CH2:33][CH2:32][N:31]([S:28]([c:23]4[cH:22][cH:21][c:20]5[cH:19][c:18]([Br:17])[cH:27][cH:26][c:25]5[cH:24]4)(=[O:29])=[O:30])[CH2:36][CH2:35]3)[cH:15][cH:16]2)[cH:7]1