HRID678033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1cccc2cc(-c3ccc(OCc4c(Cc5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc12

HCID59264872

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1

HCID24739019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5f3cc4c348344fcab2a9e03bb35afed
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

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