HRID2133102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57842802

2-(4-Bromo-2-chlorophenyl)ethan-1-ol

C8H8BrClO

HCID83382972

未命名化合物

结构：CCOC(=O)CC(NC(=O)OCc1ccccc1)c1cccc(NC(=O)OCCc2ccc(Br)cc2C)c1

HCID178472118

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(NC(=O)OCCc2ccc(Br)cc2Cl)c1

HCID57842553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d73680191d744b3a8cee534da57a80c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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