HRID1118156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81514

Butanoyl chloride, 3,3-dimethyl-

C6H11ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：C=C1CN(c2ccc3c(c2)OC(F)(F)C(F)(F)O3)C(=N)S1

HCID86619167

未命名化合物

PRODUCTS

生成物

结构：C=C1CN(c2ccc3c(c2)OC(F)(F)C(F)(F)O3)C(=NC(=O)CC(C)(C)C)S1

HCID86619178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77a5ec51d7884a0e8464e4f5b78e0233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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