HRID122613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID31246

4-Heptanone

C7H14O

HCID2724942

未命名化合物

HCID22136278

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2

HCID22136272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c9004bb57064f45a12a7c35c85b2437
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:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:21][CH2:22][CH2:23][C:24]([CH2:25][CH2:26][CH3:27])=[O:28].[Cl:1][c:2]1[c:3]([N:10]2[c:11]3[c:12]([c:16]([NH2:20])[n:17]([CH3:19])[n:18]3)[CH2:13][CH2:14][CH2:15]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[Cl:43][CH:44]([Cl:45])[CH3:46].[Na+:42]>>[Cl:1][c:2]1[c:3]([N:10]2[c:11]3[c:12]([c:16]([NH:20][CH:24]([CH2:23][CH2:22][CH3:21])[CH2:25][CH2:26][CH3:27])[n:17]([CH3:19])[n:18]3)[CH2:13][CH2:14][CH2:15]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1