HRID1542204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57785083

未命名化合物

结构：CCC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)O

HCID68795564

未命名化合物

PRODUCTS

生成物

结构：CCC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)OC(C)(C)C(F)(F)F

HCID76605103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-588b8f62796a4ff584885f27096aa915
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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