HRID663667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8454

N-Methylpyrrolidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID21521

2-Bromoethyl ether

C4H8Br2O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCc1cc(N)cc(CC)c1NS(=O)(=O)c1ccc(C)cc1

HCID183982

Benzenesulfonamide, N-(4-amino-2,6-diethylphenyl)-4-methyl-

C17H22N2O2S

PRODUCTS

生成物

结构：CCc1cc(N2CCOCC2)cc(CC)c1NS(=O)(=O)c1ccc(C)cc1

HCID67406337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c797872a0c944c578b719e8b6213026d
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:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][Br:29].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH2:1][c:2]1[cH:3][c:4]([CH2:21][CH3:22])[c:5]([NH:10][S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[c:6]([CH2:8][CH3:9])[cH:7]1>>[N:1]1([c:2]2[cH:3][c:4]([CH2:21][CH3:22])[c:5]([NH:10][S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[c:6]([CH2:8][CH3:9])[cH:7]2)[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1