HRID835429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID81184

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

C9H16N2

HCID16655129

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

C13H13N3O2

HCID17925049

N-[4-Chloro-3-(trifluoromethyl)phenyl]urea

C8H6ClF3N2O

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-0929e33c2ffc4c619588e649ae7a4fac
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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