HRID146776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID82385

Benzoic acid, 4-(chlorosulfonyl)-

C7H5ClO4S

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(N)ccc3OCC)nn12

HCID136336326

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(NS(=O)(=O)c4ccc(C(=O)O)cc4)ccc3OCC)nn12

HCID136380526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c6ca62ba6e4e9c918701bd119165a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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