HRID689911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74740

Benzenemethanesulfonyl chloride

C7H7ClO2S

结构：CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID59341031

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N(CCCNS(=O)(=O)Cc1ccccc1)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID58603706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb709682b49c4647918c63a37df25b86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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