HRID87574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID69486873

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccc(C3CC3)nc2)c1

HCID69489384

1,1-Dimethylethyl 3-(6-cyclopropyl-3-pyridinyl)-β-oxobenzenepropanoate

C21H23NO3

PRODUCTS

生成物

结构：CCc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccc(C4CC4)nc3)c2)cc1C(F)(F)F

HCID86589389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df15ed46e7d84ab4adc8cf28f092eec2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:20])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)=[O:21].[C:22]([CH3:24])([CH3:25])([O:26][C:27](=[O:23])[CH2:28][C:29](=[O:30])[c:31]1[cH:32][c:33](-[c:37]2[cH:38][n:39][c:40]([CH:43]3[CH2:44][CH2:45]3)[cH:41][cH:42]2)[cH:34][cH:35][cH:36]1)[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:20][C:27](=[O:26])[CH2:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:37]3[cH:38][n:39][c:40]([CH:43]4[CH2:44][CH2:45]4)[cH:41][cH:42]3)[cH:34][cH:35][cH:36]2)[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)=[O:21]