HRID91758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16655129

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

C13H13N3O2

HCID25221152

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-5b8a41f0ce6442b186d73928ed68cd08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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