HRID2138383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9005

Trimethoxymethane

C4H10O3

HCID16640910

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

C11H9F3O2

结构：CCc1oc(-c2ccccc2)nc1CCCOc1ccc(CC(N)C(=O)O)cc1

HCID18376284

未命名化合物

PRODUCTS

生成物

结构：CCc1oc(-c2ccccc2)nc1CCCOc1ccc(CC(NC(C)=CC(=O)c2ccc(C(F)(F)F)cc2)C(=O)O)cc1

HCID178438106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44630925fcd746b38ce5b15b7e9d6249
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

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][OH:54].[CH3:55][O:56][CH:57]([O:58][CH3:59])[O:60][CH3:61].[Cl:62][CH2:63][Cl:64].[F:30][C:31]([c:32]1[cH:33][cH:34][c:35]([C:38]([CH2:39][C:40]([CH3:41])=[O:42])=[O:43])[cH:36][cH:37]1)([F:44])[F:45].[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][CH2:16][c:17]2[n:18][c:19](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:20][c:21]2[CH2:22][CH3:23])[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][CH2:16][c:17]2[n:18][c:19](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:20][c:21]2[CH2:22][CH3:23])[cH:11][cH:12]1)[C:40](=[CH:39][C:38]([c:35]1[cH:34][cH:33][c:32]([C:31]([F:30])([F:44])[F:45])[cH:37][cH:36]1)=[O:43])[CH3:41]