HRID1144270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(C(C)O)C2C(C)(C)O)cc1

HCID178490040

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(C(C)OC(=O)OCc3ccccc3)C2C(C)(C)O)cc1

HCID178490041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55cf8152ec324b4fb30c32dfed2423b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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