HRID303229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21408

Propionyl acetophenone

C11H12O2

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

HCID178434843

未命名化合物

PRODUCTS

生成物

结构：CCC(=CC(=O)c1ccccc1)NC(Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1)C(=O)O

HCID178446921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dc9f0d2b1b946aa9a52ebbed4d5ccd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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