HRID1555693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID25098282

未命名化合物

HCID178433277

未命名化合物

PRODUCTS

生成物

结构：Cc1nc[nH]c1CN1CC(C(=O)NCc2ccc(F)c(F)c2Cl)N(C)C1=O

HCID178433271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88050c5a548d40bfbdb7a4431be479c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:22][c:23]1[n:24][cH:25][nH:26][c:27]1[CH2:28][OH:29].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[N:15]([CH3:20])[C:16](=[O:19])[NH:17][CH2:18]2)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8].[Cl:49][CH2:50][Cl:51].[ClH:21].[OH2:30].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[Cl:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[N:15]([CH3:20])[C:16](=[O:19])[N:17]([CH2:28][c:27]3[c:23]([CH3:22])[n:24][cH:25][nH:26]3)[CH2:18]2)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8]