HRID949715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)C1(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)Cc2cc(OC)c(OC)cc2CN1C

HCID20202228

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：COc1ccc(C(C#N)(CCCC2(C(=O)O)Cc3cc(OC)c(OC)cc3C[NH+]2C)C(C)C)cc1OC

HCID178490307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-777462e4650546588ef59550afe7a424
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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