HRID2330004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1N

HCID69487014

(2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

C12H14ClF3N2O2

结构：Cc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)ccn1

HCID69489307

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(Cl)c(C(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)ccn1

HCID86589292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d266990efd6a4dca813eba2a3a3e9ef5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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