HRID1556255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13544841

4-(3-Methylphenyl)piperidin-4-ol

C12H17NO

HCID18433630

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C2(O)CCN(C(=O)Cc3cncn3Cc3ccc(C#N)cc3)CC2)c1

HCID21193353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dbb7c4c80f1458f93145fc45198a248
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:16](#[N:17])[c:18]1[cH:19][cH:20][c:21]([CH2:22][n:23]2[cH:24][n:25][cH:26][c:27]2[CH2:28][C:29](=[O:30])[OH:31])[cH:32][cH:33]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH3:2][c:3]1[cH:4][c:5]([C:9]2([OH:15])[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[ClH:1].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH3:2][c:3]1[cH:4][c:5]([C:9]2([OH:15])[CH2:10][CH2:11][N:12]([C:29]([CH2:28][c:27]3[n:23]([CH2:22][c:21]4[cH:20][cH:19][c:18]([C:16]#[N:17])[cH:33][cH:32]4)[cH:24][n:25][cH:26]3)=[O:30])[CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1