HRID683277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81961

Triethyl ethane-1,1,2-tricarboxylate

C11H18O6

结构：O=C1c2cccc(O)c2C(=O)c2c(O)cc(CBr)cc21

HCID153369

9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-

C15H9BrO4

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOC(=O)CC(Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)(C(=O)OCC)C(=O)OCC

HCID23349615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b3e91f19cac4ae1a7b6842588506ea1
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

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