HRID2340400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13365980

1,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxide

C11H11BrClNO3S

HCID15895135

1-(Piperidin-4-yl)-3-propyl-1,3-dihydro-2H-benzimidazol-2-one

C15H21N3O

PRODUCTS

生成物

结构：CCCn1c(=O)n(C2CCN(CCCCN3C(=O)c4cc(Cl)ccc4S3(=O)=O)CC2)c2ccccc21

HCID15872111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a4387303ef74a22a62bff91f7e0fb0a
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

[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[O:20]=[S:21]1(=[O:37])[N:22]([CH2:32][CH2:33][CH2:34][CH2:35][Br:36])[C:23](=[O:31])[c:24]2[c:25]1[cH:26][cH:27][c:28]([Cl:30])[cH:29]2.[OH2:45]>>[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:35][CH2:34][CH2:33][CH2:32][N:22]3[S:21](=[O:20])(=[O:37])[c:25]4[c:24]([cH:29][c:28]([Cl:30])[cH:27][cH:26]4)[C:23]3=[O:31])[CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2