HRID803382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(C)c2c(c(C)c1N)C(c1ccc(C(C)C)cc1)C(C)(C)O2

HCID10519978

未命名化合物

HCID10932441

3-(4-Methoxyphenyl)propionyl chloride

C10H11ClO2

PRODUCTS

生成物

结构：COc1ccc(CCC(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

HCID21961330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f105e8c5b044a56a71fd0cb5a0bfc2a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][CH2:34][C:35](=[O:36])[Cl:37])[cH:31][cH:32]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH2:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([NH:21][C:35]([CH2:34][CH2:33][c:30]2[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]2)=[O:36])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1