HRID1569401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7412

Benzoyl chloride

C7H5ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19365132

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)c1ccccc1

HCID19365144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96194bb6efb742208beeae605e61663d
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

[C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)(=[O:47])[Cl:48].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[c:12]1([CH2:18][C:19]2=[N:20][O:21][CH:22]([CH:24]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH2:32])[CH2:23]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[c:12]1([CH2:18][C:19]2=[N:20][O:21][CH:22]([CH:24]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH:32][C:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:47])[CH2:23]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1