HRID203806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID222

Ammonia gas

H3N

HCID7932

3-Chloroaniline

C6H6ClN

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

结构：O=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID11209963

未命名化合物

PRODUCTS

生成物

结构：N#CC1(Nc2cccc(Cl)c2)CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID18401634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ad3906e4c645a0a9a2560c341caa34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:32][Si:33]([CH3:34])([CH3:35])[C:36]#[N:37].[CH3:39][C:40](=[O:41])[OH:42].[Cl:24][c:25]1[cH:26][c:27]([NH2:28])[cH:29][cH:30][cH:31]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)([F:22])[F:23].[NH3:38]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][C:11]([NH:28][c:27]3[cH:26][c:25]([Cl:24])[cH:31][cH:30][cH:29]3)([C:36]#[N:37])[CH2:12][CH2:13]2)[cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)([F:22])[F:23]