HRID697054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7840

1-Bromopropane

C3H7Br

HCID166653

Hydride

H-

结构：COc1ccc(NS(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID57699506

未命名化合物

PRODUCTS

生成物

结构：CCCN(c1ccc(OC)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1)S(=O)(=O)c1cccc(OC(F)F)c1

HCID67095233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40710d43060d42639e583816fbe9516b
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:38][CH2:39][CH2:40][CH3:41].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:34][CH3:35])[cH:16][cH:17][c:18]([NH:20][S:21](=[O:22])(=[O:23])[c:24]3[cH:25][c:26]([O:30][CH:31]([F:32])[F:33])[cH:27][cH:28][cH:29]3)[cH:19]2)[CH2:12][CH2:13]1.[H-:36].[Na+:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:34][CH3:35])[cH:16][cH:17][c:18]([N:20]([S:21](=[O:22])(=[O:23])[c:24]3[cH:25][c:26]([O:30][CH:31]([F:32])[F:33])[cH:27][cH:28][cH:29]3)[CH2:39][CH2:40][CH3:41])[cH:19]2)[CH2:12][CH2:13]1