HRID292454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID215

Aminoacetone

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(c1ccc(Br)cc1)N1CCC(CC(=O)O)(c2ccccc2)OC1=O

HCID178435649

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CNC(=O)CC1(c2ccccc2)CCN(C(C)c2ccc(Br)cc2)C(=O)O1

HCID178468293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-742cc9f181634fa38d73cb5052235edc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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