HRID1541262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8113

Diethanolamine

C4H11NO2

HCID31374

Dimethylacetamide

C4H9NO

结构：CN(CC1CCC(COCC=CCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID69638461

未命名化合物

PRODUCTS

生成物

结构：CN(CC1CCC(COCC=CCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID69638298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f737216d2ed044bdaacf31c4087b6ee3
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][CH2:2][CH:3]=[CH:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1.[CH3:37][N:38]([CH3:39])[C:40](=[O:41])[CH3:42].[OH:30][CH2:31][CH2:32][NH:33][CH2:34][CH2:35][OH:36]>>[CH2:2]([CH:3]=[CH:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1)[N:33]([CH2:32][CH2:31][OH:30])[CH2:34][CH2:35][OH:36]