HRID153941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID11568

3-Aminophenol

C6H7NO

HCID12746378

4-(Chloromethyl)isoquinoline

C10H8ClN

HCID18007721

未命名化合物

HCID18007736

4-(Acetyloxy)-3-tert-butylbenzoic acid

C13H16O4

PRODUCTS

产物

HCID18007729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb28d3d2ee684673bc5e35296ad4fce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:41]([CH3:42])(=[O:43])[O:44][c:45]1[c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:47][c:48]([C:49](=[O:50])[OH:51])[cH:52][cH:53]1.[CH3:62][OH:63].[Cl:21][CH2:22][c:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[cH:30][n:31][cH:32]1.[Cl:59][CH2:60][Cl:61].[ClH:20].[OH2:58].[OH:33][c:34]1[cH:35][c:36]([NH2:40])[cH:37][cH:38][cH:39]1.[cH:1]1[n:2][cH:3][c:4]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH2:16])[cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][c:4]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH:16][C:49]([c:48]3[cH:47][c:46]([C:54]([CH3:55])([CH3:56])[CH3:57])[c:45]([O:44][C:41]([CH3:42])=[O:43])[cH:53][cH:52]3)=[O:50])[cH:17][cH:18][cH:19]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12