HRID2144117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID12084

4-Chlorobenzamide

C7H6ClNO

HCID70520

Benzenepropanal, .alpha.,.alpha.-dimethyl-

C11H14O

HCID178418385

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1ccccc1)C(NC(=O)c1ccc(Cl)cc1)n1nnc2ccccc21

HCID18770575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac20a850220a4abca6deca16ba657bec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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