HRID196611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID31275

1,4-Dioxane

C4H8O2

HCID10359167

2-Naphthalenecarboxylic acid, 6-(decyloxy)-

C21H28O3

HCID15036319

2-Amino-4-butylphenol

C10H15NO

PRODUCTS

生成物

结构：CCCCCCCCCCOc1ccc2cc(C(=O)Nc3cc(CCCC)ccc3O)ccc2c1

HCID19736320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a255f61808614da5ab5dea4d023d4ce2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][c:25]1[cH:26][c:27]2[cH:28][cH:29][c:30]([C:35](=[O:36])[OH:37])[cH:31][c:32]2[cH:33][cH:34]1.[Cl-:13].[NH2:1][c:2]1[c:3]([OH:12])[cH:4][cH:5][c:6]([CH2:8][CH2:9][CH2:10][CH3:11])[cH:7]1.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:50].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[NH:1]([c:2]1[c:3]([OH:12])[cH:4][cH:5][c:6]([CH2:8][CH2:9][CH2:10][CH3:11])[cH:7]1)[C:35]([c:30]1[cH:29][cH:28][c:27]2[cH:26][c:25]([O:24][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:34][cH:33][c:32]2[cH:31]1)=[O:36]