HRID1240555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24689211

tert-Butyl [2-amino-4-(trifluoromethyl)phenyl]carbamate

C12H15F3N2O2

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccnc(C#N)c2)c1

HCID69489885

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2ccnc(C#N)c2)c1

HCID86589364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4697135599fc41479dcdf87fd8cd7a90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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