HRID1149271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69280030

未命名化合物

结构：CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1

HCID69280666

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1)NCc1cc(F)cc(F)c1

HCID69280622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8d3d2764a6149978653dd316195a5f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([CH:8]([C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[N:15]2[CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[CH2:23][CH2:24]2)[CH2:25][c:26]2[cH:27][nH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[CH3:35])=[O:36])[cH:37][c:38]([F:40])[cH:39]1.[F:41][c:42]1[cH:43][c:44]([CH2:49][NH:50][C:51](=[O:52])[CH2:53][C:54]([OH:55])=[O:56])[cH:45][c:46]([F:47])[cH:48]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([CH2:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[N:15]2[CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[CH2:23][CH2:24]2)[CH2:25][c:26]2[cH:27][nH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)=[O:36])[cH:37][c:38]([F:40])[cH:39]1