HRID2320578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID15410

Propanesulfonyl chloride, chloro-

C3H6Cl2O2S

HCID11324722

5-bromo-3-(4-piperidinyl)-1H-indole-7-carboxamide

C14H16BrN3O

结构：NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12

HCID59003280

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cc(Br)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12

HCID59003310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e9a5b74d4ae412aa8a23e9dadfb1a9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:32][c:33]1[cH:34][c:35]2[c:36]([c:37]([C:38]([NH2:39])=[O:40])[cH:41]1)[nH:42][cH:43][c:44]2[CH:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH2:51]([N:52]([CH2:53][CH3:54])[CH2:55][CH3:56])[CH3:57].[Cl:1][CH2:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][nH:16][c:17]3[c:18]([C:29](=[O:30])[NH2:31])[cH:19][c:20](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:21][c:22]23)[CH2:12][CH2:13]1.[Cl:58][CH2:59][CH2:60][CH2:61][S:62]([Cl:63])(=[O:64])=[O:65]>>[Cl:1][CH2:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][nH:16][c:17]3[c:18]([C:29](=[O:30])[NH2:31])[cH:19][c:20]([Br:32])[cH:21][c:22]23)[CH2:12][CH2:13]1