HRID188754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：COP(=O)(O)C1N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1(C)C

HCID178502969

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

HCID178502968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a10f70443ec04f4399dc836c4466222c
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

[CH3:48][C:49](=[O:50])[CH3:51].[OH2:36].[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]([P:29](=[O:30])([O:31][CH3:32])[OH:33])[C:25]([CH3:27])([CH3:28])[S:26]3)[C:34]2=[O:35])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:37]1([CH3:47])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[OH:46])[cH:41][cH:42]1>>[NH2:20][CH:21]1[CH:22]2[N:23]([CH:24]([P:29](=[O:30])([O:31][CH3:32])[OH:33])[C:25]([CH3:27])([CH3:28])[S:26]2)[C:34]1=[O:35].[c:37]1([CH3:47])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[O-:46])[cH:41][cH:42]1