HRID662302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID97249

Benzonitrile, 3-(bromomethyl)-

C8H6BrN

HCID3280088

未命名化合物

HCID12500430

未命名化合物

PRODUCTS

生成物

HCID18462306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b04ce1bf5fcb4507b0fa3820c35ee004
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:30][CH2:31][c:32]1[cH:33][c:34]([C:38]#[N:39])[cH:35][cH:36][cH:37]1.[C:40]([OH:41])(=[O:42])[CH:43]([CH:44]([C:45]([OH:46])=[O:47])[OH:48])[OH:49].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:21][Si:22]([N-:23][Si:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Li+:20].[NH2:12][CH:13]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[CH3:19].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH2:12][CH:13]([CH:14]([C:15](=[O:16])[O:17][CH3:18])[CH2:31][c:32]1[cH:33][c:34]([C:38]#[N:39])[cH:35][cH:36][cH:37]1)[CH3:19]