HRID1130666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCn2c(=O)sc3cc(C(=NOC)c4ccccc4)ccc32)cc1

HCID86596385

未命名化合物

PRODUCTS

生成物

结构：CON=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCOc1ccc(OC(C)(C)C(=O)O)cc1

HCID73414973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b02e13d002742589eea8212ce8f53a0
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

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