HRID282893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID75430

Butane-1-sulfonyl chloride

C4H9ClO2S

结构：CCCc1nc2c(C)c(N)cnc2n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

HCID19939763

未命名化合物

PRODUCTS

生成物

结构：CCCCS(=O)(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1C

HCID19939736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-805488ac14d84b5392cbf9041c0662d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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