HRID90513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)cc1-c1ccccc1

HCID69427032

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc1

HCID69423191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2422d3bca5ba423aa12f9b2ed7dc6133
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

[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][n:20]3[cH:21][c:22]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[c:23](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:24]3)[cH:38][cH:39]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:50][CH2:51][OH:52].[ClH:48].[Li+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:41].[OH2:40].[OH2:49]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][n:20]3[cH:21][c:22]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[c:23](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:24]3)[cH:38][cH:39]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1