HRID147721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID7059263

3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

C13H11ClFNO

HCID59380405

未命名化合物

PRODUCTS

产物

反应SMILES：Fc1cccc(COc2ccc(Nc3ncnc4sc5cc(Br)ccc5c34)cc2Cl)c1

HCID59380385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f0a7e83eefe8409c953de0fa1d248950
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

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