HRID154551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID8857

Ethyl acetate

C4H8O2

HCID76920

Hexamethyldisilathiane

C6H18SSi2

HCID3826051

未命名化合物

结构：N#Cc1cccc(C2=Nc3ccc(-c4ccc(F)cc4)cc3NC(=O)C2)c1

HCID9798726

未命名化合物

PRODUCTS

生成物

结构：NC(=S)c1cccc(C2=Nc3ccc(-c4ccc(F)cc4)cc3NC(=O)C2)c1

HCID22224627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ac28f98941e45f197f046511e721a29
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

[CH3:10][O-:11].[CH3:1][Si:2]([S:3][Si:6]([CH3:7])([CH3:8])[CH3:9])([CH3:4])[CH3:5].[CH3:41][N:42]1[CH2:43][CH2:44][N:45]([CH3:46])[C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[F:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][c:22]3[c:23]([cH:38][cH:39]2)[N:24]=[C:25]([c:30]2[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36][cH:37]2)[CH2:26][C:27](=[O:29])[NH:28]3)[cH:18][cH:19]1.[Na+:12].[OH2:40]>>[S:3]=[C:33]([c:32]1[cH:31][c:30]([C:25]2=[N:24][c:23]3[c:22]([cH:21][c:20](-[c:17]4[cH:16][cH:15][c:14]([F:13])[cH:19][cH:18]4)[cH:39][cH:38]3)[NH:28][C:27](=[O:29])[CH2:26]2)[cH:37][cH:36][cH:35]1)[NH2:34]