HRID111000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID948516

4-[(diethylamino)methyl]benzoic acid

C12H17NO2

结构：CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1

HCID10065020

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)Cc1ccc(C(=O)Oc2ccc(C(O)C(C)N3CCC(O)(c4ccccc4)CC3)cc2)cc1

HCID178463925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ac996dd52694a3bbaa83556d4e3e4c4
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

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