HRID125383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

HCID100112

未命名化合物

HCID67075197

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1cccc2ccccc12)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

HCID178471470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-962d1c98b6b04ceba99264f0ce234428
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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