HRID1557318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC(C)(C)OC(=O)NCC(Cc1ccccc1)NC(=O)c1cc(Br)cs1

HCID90767002

未命名化合物

结构：NC(Cc1ccc(Cl)cc1Cl)CN1C(=O)c2ccccc2C1=O

HCID178510807

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(Cl)s1

HCID57826742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f8a6cc169ed4320a200d76cdbd0d956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[s:5][cH:6]1.[Cl:50][N:51]1[C:52](=[O:53])[CH2:54][CH2:55][C:56]1=[O:57].[NH2:27][CH:28]([CH2:29][c:30]1[cH:31][cH:32][c:33]([Cl:48])[cH:34][c:35]1[Cl:36])[CH2:37][N:38]1[C:39](=[O:40])[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[C:47]1=[O:49].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][NH:12][C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[s:5][c:6]1[Cl:48]