HRID87390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1cc(C(=O)NC(c2nc3cc(Cl)ccc3[nH]2)C(C)OC(C)(C)C)ccc1C(=O)N1CC=CC1

HCID178427024

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC(c2nc3cc(Cl)ccc3[nH]2)C(C)O)ccc1C(=O)N1CC=CC1

HCID178427022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ff2a966e2d0423f98bcb982290f7ecf
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

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