HRID97349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID521845

2,4,6-Trifluorobenzaldehyde

C7H3F3O

HCID2724942

未命名化合物

结构：Nc1nc(C#CC2(O)CCNCC2)cn2nc(-c3ccco3)nc12

HCID68542206

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(C#CC2(O)CCN(Cc3c(F)cc(F)cc3F)CC2)cn2nc(-c3ccco3)nc12

HCID68544144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-473b849fe1634912a14f7222fe3fd841
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:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:50][C:51](=[O:52])[OH:53].[Cl:54][CH2:55][Cl:56].[F:25][c:26]1[c:27]([CH:28]=[O:29])[c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]1.[NH2:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:8]#[C:9][C:10]3([OH:16])[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:7]1)[n:17][c:18](-[c:20]1[o:21][cH:22][cH:23][cH:24]1)[n:19]2.[Na+:49]>>[NH2:1][c:2]1[c:3]2[n:4]([cH:5][c:6]([C:8]#[C:9][C:10]3([OH:16])[CH2:11][CH2:12][N:13]([CH2:28][c:27]4[c:26]([F:25])[cH:33][c:32]([F:34])[cH:31][c:30]4[F:35])[CH2:14][CH2:15]3)[n:7]1)[n:17][c:18](-[c:20]1[o:21][cH:22][cH:23][cH:24]1)[n:19]2