HRID813251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID67147563

未命名化合物

PRODUCTS

产物

HCID67147671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4dac7f899ece4e7896d7ff5fd3ceeaa2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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