HRID172675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID13727091

未命名化合物

HCID178501586

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12

HCID178500046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9294a74c426452496aa264a12d75392
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:35][O:36][C:37]([CH:38]([NH2:39])[CH2:40][c:41]1[cH:42][nH:43][cH:44][n:45]1)=[O:46].[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[CH3:54][C:55]#[N:56].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:57]([Cl:58])([Cl:59])[Cl:60].[ClH:33].[ClH:34].[c:1]1([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][CH:12]([C:13](=[O:14])[NH:39][CH:38]([C:37]([O:36][CH3:35])=[O:46])[CH2:40][c:41]2[cH:42][nH:43][cH:44][n:45]2)[CH2:16][CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12