HRID2151677

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：Cc1oc(-c2ccc(OC(C)C)cc2)nc1CCOc1ccc(CC(N)C(=O)O)cc1

HCID178434857

未命名化合物

PRODUCTS

生成物

结构：CC(=CC(=O)c1ccc(C(F)(F)F)cc1)NC(Cc1ccc(OCCc2nc(-c3ccc(OC(C)C)cc3)oc2C)cc1)C(=O)O

HCID178450160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-137119d16d904b27a16a5080b1053f2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[F:32][C:33]([c:34]1[cH:35][cH:36][c:37]([C:40]([CH2:41][C:42]([CH3:43])=[O:44])=[O:45])[cH:38][cH:39]1)([F:46])[F:47].[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][c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]3)[o: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][c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[C:42](=[CH:41][C:40]([c:37]1[cH:36][cH:35][c:34]([C:33]([F:32])([F:46])[F:47])[cH:39][cH:38]1)=[O:45])[CH3:43]