HRID702740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID550774

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)N2CCCC2C(N)=O)c1)C(F)(F)F

HCID73407119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de331e1b130c4b80bbbb7fc61a0b2e30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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.[NH2:41][C:42](=[O:43])[CH:44]1[CH2:45][CH2:46][CH2:47][NH:48]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])[N:48]5[CH:44]([C:42]([NH2:41])=[O:43])[CH2:45][CH2:46][CH2:47]5)[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