HRID175719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CCOC(=O)n1nnnc1C1N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1(C)C

HCID20381256

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

结构：CCOC(=O)n1nnnc1C1N2C(=O)C(N)C2SC1(C)C

HCID20381516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7dc53d21557417a87b817506d89e528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:52][C:53](=[O:54])[CH3:55].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:20][CH:21]2[CH:22]3[N:23]([CH:24]([c:29]4[n:30][n:31][n:32][n:33]4[C:34](=[O:35])[O:36][CH2:37][CH3:38])[C:25]([CH3:27])([CH3:28])[S:26]3)[C:39]2=[O:40])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]1>>[NH2:20][CH:21]1[CH:22]2[N:23]([CH:24]([c:29]3[n:30][n:31][n:32][n:33]3[C:34](=[O:35])[O:36][CH2:37][CH3:38])[C:25]([CH3:27])([CH3:28])[S:26]2)[C:39]1=[O:40].[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[O-:50])[cH:45][cH:46]1