HRID94272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID67854

Benzoic acid, 2-fluoro-, methyl ester

C8H7FO2

HCID3280088

未命名化合物

HCID57527171

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C(=O)c1ccccc1F)c1ccc2nc(NC(C)C)sc2c1

HCID57527151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3df82fc1bbe4579a54f2199a934025a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH:11]([CH3:12])([CH3:13])[NH:14][c:15]1[s:16][c:17]2[c:18]([n:19]1)[cH:20][cH:21][c:22]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:23]2.[ClH:40].[F:29][c:30]1[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]1.[Li+:10].[OH2:46]>>[CH:11]([CH3:12])([CH3:13])[NH:14][c:15]1[s:16][c:17]2[c:18]([n:19]1)[cH:20][cH:21][c:22]([CH:24]([C:25](=[O:26])[O:27][CH3:28])[C:32]([c:31]1[c:30]([F:29])[cH:39][cH:38][cH:37][cH:36]1)=[O:33])[cH:23]2