HRID2335656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6453783

未命名化合物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)O)c1)C(F)(F)F

HCID25180783

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)NC(C)(C)C(N)=O)c1)C(F)(F)F

HCID24782161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89191352932846de9dd6577145024260
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

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