HRID115387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID3573480

未命名化合物

HCID9990126

4-QUINOLINECARBONYL CHLORIDE

C10H6ClNO

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)CC1CCC(NC(=O)c2ccnc3ccccc23)CC1

HCID66625847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d4d69e8102e44c0aadf06f2acc674e5
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][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]1)=[O:14].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[ClH:15].[ClH:1].[n:16]1[cH:17][cH:18][c:19]([C:26](=[O:27])[Cl:28])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12>>[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([NH:13][C:26]([c:19]2[cH:18][cH:17][n:16][c:25]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)=[O:27])[CH2:11][CH2:12]1)=[O:14].[ClH:28]