HRID936578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID2766375

1-phenyl-2-pyrazol-1-ylethanone

C11H10N2O

HCID22270580

3-[3-Amino-1-(4-chlorophenyl)butan-2-yl]benzonitrile

C17H17ClN2

PRODUCTS

生成物

结构：CC(NC(Cn1cccn1)c1ccccc1)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1

HCID178464381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93873bcbf68740a987537e1583461db9
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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