HRID194353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4169719

3-Acetamidopiperidine

C7H14N2O

反应SMILES：O=C(O)c1ccc(Br)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21

HCID57479086

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)NC1CCCN(C(=O)c2ccc(Br)cc2NC2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1

HCID66991293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-81d3878fd5c74120ba10293a4a171cfd
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

[Br:1][c:2]1[cH:3][c:4]([NH:11][C:12]2([CH2:23][c:24]3[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]3)[C:13](=[O:22])[NH:14][c:15]3[cH:16][c:17]([Cl:21])[cH:18][cH:19][c:20]32)[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:65][CH2:66][Cl:67].[ClH:45].[NH:31]1[CH2:32][CH:33]([NH:37][C:38]([CH3:39])=[O:40])[CH2:34][CH2:35][CH2:36]1.[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[Br:1][c:2]1[cH:3][c:4]([NH:11][C:12]2([CH2:23][c:24]3[cH:25][c:26]([Cl:30])[cH:27][cH:28][cH:29]3)[C:13](=[O:22])[NH:14][c:15]3[cH:16][c:17]([Cl:21])[cH:18][cH:19][c:20]32)[c:5]([C:6](=[O:7])[N:31]2[CH2:32][CH:33]([NH:37][C:38]([CH3:39])=[O:40])[CH2:34][CH2:35][CH2:36]2)[cH:9][cH:10]1