HRID201062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c(O)c2cccnc21

HCID135430710

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2)c(O)c2cccnc21

HCID135541387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af4cf150a70a424288963662b3ca60ab
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

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