HRID666619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(-c2coc3cc(OCC4CO4)ccc3c2=O)cc1

HCID86618198

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2coc3cc(OCC(O)CNCc4cccc(C(F)(F)F)c4)ccc3c2=O)cc1

HCID67279129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aabd16e954442cab9806a63f3864211
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][o:11][c:12]3[cH:13][c:14]([O:20][CH2:21][CH:22]4[O:23][CH2:24]4)[cH:15][cH:16][c:17]3[c:18]2=[O:19])[cH:7][cH:8]1.[CH3:46][CH2:47][OH:48].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[F:25][C:26]([c:27]1[cH:28][c:29]([CH2:30][NH2:31])[cH:32][cH:33][cH:34]1)([F:35])[F:36]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][o:11][c:12]3[cH:13][c:14]([O:20][CH2:21][CH:22]([OH:23])[CH2:24][NH:31][CH2:30][c:29]4[cH:28][c:27]([C:26]([F:25])([F:35])[F:36])[cH:34][cH:33][cH:32]4)[cH:15][cH:16][c:17]3[c:18]2=[O:19])[cH:7][cH:8]1