HRID951669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID16655129

4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide

C13H13N3O2

结构：O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(Cl)(Cl)Cl

HCID86648442

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

HCID216239

Sorafenib

C21H16ClF3N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ede924af2d4f18a9279dda4ea094fe
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:48]([N:49]([CH3:50])[CH3:51])=[O:52].[Cl:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([C:13]([F:14])([F:15])[F:16])[c:9]([Cl:12])[cH:10][cH:11]1)([Cl:17])[Cl:18].[N:19]12[CH2:20][CH2:21][CH2:22][N:23]=[C:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2.[NH2:30][c:31]1[cH:32][cH:33][c:34]([O:35][c:36]2[cH:37][c:38]([C:42](=[O:43])[NH:44][CH3:45])[n:39][cH:40][cH:41]2)[cH:46][cH:47]1>>[C:3](=[O:4])([NH:5][c:6]1[cH:7][c:8]([C:13]([F:14])([F:15])[F:16])[c:9]([Cl:12])[cH:10][cH:11]1)[NH:30][c:31]1[cH:32][cH:33][c:34]([O:35][c:36]2[cH:37][c:38]([C:42](=[O:43])[NH:44][CH3:45])[n:39][cH:40][cH:41]2)[cH:46][cH:47]1