HRID154041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID6605254

4-[[[(2-Methylphenyl)amino]carbonyl]amino]benzeneacetic acid

C16H16N2O3

HCID18682362

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cc(C(CC(C)C)NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)no1

HCID18682368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e27b05e5ab984ea29afb4ca6d5dcfce7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BrH:41].[CH3:42][O:43][C:44]([CH2:45][CH2:46][c:47]1[cH:48][c:49]([CH:52]([CH2:53][CH:54]([CH3:55])[CH3:56])[NH2:57])[n:50][o:51]1)=[O:58].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:59][CH2:60][Cl:61].[OH2:62].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1.[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:19])[NH:57][CH:52]([c:49]3[cH:48][c:47]([CH2:46][CH2:45][C:44]([O:43][CH3:42])=[O:58])[o:51][n:50]3)[CH2:53][CH:54]([CH3:55])[CH3:56])[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1