HRID2315406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(Nc1cnc2n(c1=O)C(Cc1ccccc1)(C(=O)O)CC2)OCc1ccccc1

HCID21979693

未命名化合物

HCID145832046

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3)CCc3ncc(NC(=O)OCc4ccccc4)c(=O)n32)cc1

HCID145857196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b90f82de2c4709b2d8173aa2560de2
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

[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH:38][C:39](=[NH:40])[c:41]1[cH:42][cH:43][c:44]([CH2:47][NH2:48])[cH:45][cH:46]1)=[O:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]1([C:29](=[O:30])[OH:31])[CH2:9][CH2:10][c:11]2[n:12]1[c:13](=[O:28])[c:14]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:15][n:16]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]1([C:29](=[O:31])[NH:48][CH2:47][c:44]2[cH:43][cH:42][c:41]([C:39]([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:49])=[NH:40])[cH:46][cH:45]2)[CH2:9][CH2:10][c:11]2[n:12]1[c:13](=[O:28])[c:14]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:15][n:16]2