HRID292249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID3024

Dibromomethane

CH2Br2

HCID6597

Dichloroacetic acid

C2H2Cl2O2

结构：Nc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)n1-c1ccc(C2CC2)c2ccccc12

HCID59763657

2-[[5-Amino-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-(aminosulfonyl)-2-chlorophenyl]acetamide

C23H21ClN6O3S2

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)c(Cl)c1

HCID11519951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4751f716a2ed467ebf17e8329aa4d1be
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

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