HRID163159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

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

HCID44073

Acifluorfen

C14H7ClF3NO5

HCID70934

Furan, 2,3-dihydro-

C4H6O

PRODUCTS

生成物

结构：O=C(OC1CCCO1)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID20229920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53eff4b7d4354b81941c09932ac4c3ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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