HRID287116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：O=C(O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12

HCID16090664

2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-4-iodobenzoic acid

C13H8IN3O4S2

HCID68768676

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12

HCID178499862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddacfd0aba7543afb7613dc9965f8bf7
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

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