HRID1121467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8082

Piperidine

C5H11N

HCID66042

Benzonitrile, 4-formyl-

C8H5NO

HCID53935748

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(=Cc1ccc(C#N)cc1)C(=O)NCC=Cc1ccccc1

HCID53859657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b436f8dbec74d7ebc813df0f3e6c2ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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