HRID2314632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID19660

Carbonate

CO3-2

结构：CC1CC(Cc2ccc(-c3ccccc3)cc2)N(C(=O)C(C)(C)C)C1=O

HCID66739407

未命名化合物

PRODUCTS

生成物

HCID56848255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b13162872284f5392bd1c4a3fa58bf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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