HRID149611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID7509

Benzenemethanethiol

C7H8S

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：COc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1F

HCID11486153

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile

C18H12Cl2FN3O2

PRODUCTS

生成物

结构：COc1cc(Nc2c(C#N)cnc3cc(SCc4ccccc4)c(OC)cc23)c(Cl)cc1Cl

HCID10435911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04ddddde97014e879873c1a51ae30b4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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