HRID108951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID12228

Methyl isocyanate

C2H3NO

HCID9543249

Dibutyltin ion

C8H18Sn+2

结构：CS(=O)c1c(C=NO)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

HCID136352416

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)ON=Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O

HCID54387530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-118eff574f61465b853bf5da72bd6eff
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

[C:29]([O-:30])(=[O:31])[CH3:32].[C:33]([O-:34])(=[O:35])[CH3:36].[CH2:37]([Sn+2:38][CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:25][N:26]=[C:27]=[O:28].[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][OH:21])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]>>[NH2:1][c:2]1[c:3]([S:22](=[O:23])[CH3:24])[c:4]([CH:19]=[N:20][O:21][C:27]([NH:26][CH3:25])=[O:28])[n:5][n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13]