HRID87168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID485395

Benzenemethanamine, N-hexyl-

C13H21N

HCID68869545

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)OC)cc1

HCID69120595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef8c924713d4c3a9b99a134e505aed5
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

[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[NH:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[OH:18])[cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44].[ClH:41].[OH2:54]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:18])[N:29]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:13][cH:14]2)[cH:19][cH:20][cH:21][cH:22]1