HRID96303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2328

Bentazone

C10H12N2O3S

HCID6212

Chloroform

CHCl3

结构：O=C(Cl)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID3017765

5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride

C14H6Cl2F3NO4

PRODUCTS

生成物

结构：CC(C)N1C(=O)c2ccccc2N(C(=O)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])S1(=O)=O

HCID13037968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-644bbe82a5884b828cab5b1b24809754
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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