HRID2157706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7969

Benzenethiol

C6H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID518700

未命名化合物

HCID5360545

Sodium

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(Sc4ccccc4)c(OC)cc23)c(Cl)cc1Cl

HCID10390498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3d9bfd0bf7b45bda74c0f4f80427b62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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