HRID1233472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID702

Ethanol

C2H6O

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2CN)cc1)C(F)(F)F

HCID77148386

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)NCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID77148486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8bae8499fde4fb3bb766368645b0681
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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