HRID1559367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID229053

未命名化合物

结构：CC(C)CC1C(C=O)OC(C)(C)N1C(=O)OCc1ccccc1

HCID14649484

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC1OC(C)(C)N(C(=O)OCc2ccccc2)C1CC(C)C)CC

HCID57055831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-160e6e88272940b18e9bf7c52e50308c
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

[CH2:19]1[CH2:20][CH2:21][C:22]2=[N:27][CH2:26][CH2:25][CH2:24][N:23]2[CH2:28][CH2:29]1.[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[N:40]1[C:41]([CH3:51])([CH3:52])[O:42][CH:43]([CH:49]=[O:50])[CH:44]1[CH2:45][CH:46]([CH3:47])[CH3:48].[CH2:3]([O:4][P:5]([O:6][CH2:7][CH3:8])(=[O:9])[CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:17][CH3:18])[CH3:10].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl-:2].[ClH:53].[Li+:1]>>[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([CH2:17][CH3:18])=[CH:49][CH:43]1[O:42][C:41]([CH3:51])([CH3:52])[N:40]([C:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:39])[CH:44]1[CH2:45][CH:46]([CH3:47])[CH3:48]