HRID2127828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(-c3cnn(C4CNC4)c3)cc12

HCID46215475

未命名化合物

PRODUCTS

生成物

结构：CC(c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(-c3cnn(C4CN(C(N)=O)C4)c3)cc12

HCID67364752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41f5cba260ff4452841a156021e8932f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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