HRID1215680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13821101

未命名化合物

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C6CC6)[nH]5)ccc4c3)cc2)[nH]1)C(C)C

HCID66620456

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1)C(C)C

HCID66620520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49fb94b9a3ab418786dfc720fc141a3b
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

[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]4[cH:32][cH:33][c:34](-[c:39]5[nH:40][c:41]([CH:44]6[N:45]([C:51]([CH:52]([NH:53][C:54](=[O:55])[O:56][CH3:57])[CH:58]7[CH2:59][CH2:60]7)=[O:61])[CH:46]7[CH2:47][CH2:48][CH:49]6[CH2:50]7)[n:42][cH:43]5)[cH:35][c:36]4[cH:37][cH:38]3)[cH:27][cH:28]2)[cH:21][n:22]1)=[O:62].[CH3:63][O:64][C:65]([NH:66][CH:67]([CH:68]([CH3:69])[CH3:70])[C:71]([OH:72])=[O:73])=[O:74]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]4[cH:32][cH:33][c:34](-[c:39]5[nH:40][c:41]([CH:44]6[N:45]([C:51]([CH:52]([NH:53][C:54](=[O:55])[O:56][CH3:57])[CH:58]([CH3:59])[CH3:60])=[O:61])[CH:46]7[CH2:47][CH2:48][CH:49]6[CH2:50]7)[n:42][cH:43]5)[cH:35][c:36]4[cH:37][cH:38]3)[cH:27][cH:28]2)[cH:21][n:22]1)=[O:62]