HRID698926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID91892

2-(4-Methoxyphenyl)-1,1-dimethylethylamine

C11H17NO

反应SMILES：O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1

HCID13897641

8-(Benzyloxy)-5-(oxiran-2-yl)quinolin-2(1H)-one

C18H15NO3

PRODUCTS

产物

反应SMILES：COc1ccc(CC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1

HCID69462583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4028ee1a7a2c4fcaa47e2fb93249a0e1
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

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