HRID2343164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(OC)c(NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)c1

HCID178492602

未命名化合物

HCID178524588

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(NC(=O)C(CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)c2cc(O)c3cccc(O)c3n2)c1

HCID178492601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dcc5640151546df946762b5678ee634
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

[OH:57][c:58]1[cH:59][c:60]([C:69](=[O:70])[OH:71])[n:61][c:62]2[c:63]([OH:68])[cH:64][cH:65][cH:66][c:67]12.[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:17]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:18][CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[c:48]([O:55][CH3:56])[cH:49][cH:50][c:51]([O:53][CH3:54])[cH:52]1>>[NH:18]([CH:19]([CH2:20][CH2:21][C:22]([NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:43])[C:44](=[O:45])[NH:46][c:47]1[c:48]([O:55][CH3:56])[cH:49][cH:50][c:51]([O:53][CH3:54])[cH:52]1)[C:69]([c:60]1[cH:59][c:58]([OH:57])[c:67]2[c:62]([n:61]1)[c:63]([OH:68])[cH:64][cH:65][cH:66]2)=[O:71]