HRID2348528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)C(N)CC(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID68482330

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(CC(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccc(Cl)cc1

HCID68481868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72d4292f69447548f9dc3fd30fce09d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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