HRID189100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11379

2-Quinolinamine

C9H8N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Br

HCID12067666

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1Br

HCID10141787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77778660516c4926942cf5d82a7b5cf6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[CH2:48]([Cl:49])[Cl:50].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[NH2:37][c:38]1[n:39][c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[cH:46][cH:47]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:37][c:38]2[n:39][c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[cH:46][cH:47]2)[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]