HRID952591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16640910

1-[4-(Trifluoromethyl)phenyl]butane-1,3-dione

C11H9F3O2

结构：Cc1sc(-c2ccccc2)nc1CCOc1ccc(CC(N)C(=O)O)cc1

HCID18376347

未命名化合物

PRODUCTS

生成物

结构：CC(=CC(=O)c1ccc(C(F)(F)F)cc1)NC(Cc1ccc(OCCc2nc(-c3ccccc3)sc2C)cc1)C(=O)O

HCID178450159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37e8d225b664b2282989d6d97ab1495
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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