HRID677861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID67574

Benzenamine, 4-chloro-3-(trifluoromethyl)-

C7H5ClF3N

HCID81184

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

C9H16N2

HCID25221151

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-7ace2bd57fc945f3ab474867b42097df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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