HRID1540035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID24841

Hydrogen iodide

HCID28123

Tetrahydroborate

H4B-

HCID587821

Benzeneacetic acid, .alpha.-amino-4-chloro-

C8H8ClNO2

结构：CC(C)(C)OC(=O)NC(COS(C)(=O)=O)c1ccc(Cl)cc1

HCID57750278

未命名化合物

PRODUCTS

生成物

HCID14853195

2-Amino-2-(4-chlorophenyl)ethan-1-ol

C8H10ClNO

HCID57750278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-829d8dd9d38f4de79ac5250dc0c15fba
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

[BH4-:35].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]([c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[I:37].[NH2:23][CH:24]([C:25](=[O:26])[OH:27])[c:28]1[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]1.[Na+:36]>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]([c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[NH2:23][CH:24]([CH2:25][OH:26])[c:28]1[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]1