HRID1209661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NC(=O)c1ccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc2c1

HCID51030971

未命名化合物

结构：COc1cc2oc(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(=O)c2cc1Br

HCID67067774

未命名化合物

PRODUCTS

生成物

结构：COc1cc2oc(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(=O)c2cc1C(N)=O

HCID67067752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-963c1932621142dcb66f03af44f8bed5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][C:39]1([c:43]2[cH:44][cH:45][c:46](-[c:49]3[c:50](-[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[o:51][c:52]4[cH:53][c:54]([O:61][CH3:62])[c:55]([Br:60])[cH:56][c:57]4[c:58]3=[O:59])[cH:47][cH:48]2)[CH2:40][CH2:41][CH2:42]1)=[O:69].[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([cH:12][c:13]([C:23](=[O:24])[NH2:25])[cH:14][cH:15]4)[o:16][c:17]3-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:26]3)[cH:27][cH:28]2)[CH2:29][CH2:30][CH2:31]1>>[C:23](=[O:24])([NH2:25])[c:55]1[c:54]([O:61][CH3:62])[cH:53][c:52]2[o:51][c:50](-[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[c:49](-[c:46]3[cH:45][cH:44][c:43]([C:39]4([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:69])[CH2:40][CH2:41][CH2:42]4)[cH:48][cH:47]3)[c:58](=[O:59])[c:57]2[cH:56]1