HRID282229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

HCID69687667

未命名化合物

HCID69688174

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)Nc2cc(F)c(N(C)C)cc2NC(=O)OC(C)(C)C)c1

HCID86586833

(5-Dimethylamino-2-{3-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-4-fluoro-phenyl)-carbamic acid tert.-butyl ester

C27H34FN7O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f826ddc67bc4e2bb08d49f449450b02
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

[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]([F:17])[c:12]([N:14]([CH3:15])[CH3:16])[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](-[n:35]2[n:36][n:37][cH:38][c:39]2[CH2:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34]1)[CH3:44]>>[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](-[n:35]3[n:36][n:37][cH:38][c:39]3[CH2:40][N:41]([CH3:42])[CH3:43])[cH:32][cH:33][cH:34]2)[cH:10][c:11]([F:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]