HRID93468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID76652

Phenylalaninol

C9H13NO

结构：Cc1cc(C#N)cc2[nH]c(-c3c(Cl)cc[nH]c3=O)nc12

HCID135681642

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12

HCID136384627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86e8723b3dbe4b5aa183384579bfa705
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

[CH3:21][N:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[Cl:1][c:2]1[c:3](-[c:9]2[nH:10][c:11]3[c:12]([n:13]2)[c:14]([CH3:20])[cH:15][c:16]([C:18]#[N:19])[cH:17]3)[c:4](=[O:8])[nH:5][cH:6][cH:7]1.[NH2:28][CH:29]([CH2:30][OH:31])[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1([NH:28][CH:29]([CH2:30][OH:31])[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:3](-[c:9]2[nH:10][c:11]3[c:12]([n:13]2)[c:14]([CH3:20])[cH:15][c:16]([C:18]#[N:19])[cH:17]3)[c:4](=[O:8])[nH:5][cH:6][cH:7]1