HRID684440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID14517

4-Fluorobenzonitrile

C7H4FN

HCID19660

Carbonate

CO3-2

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCNCC2)C1

HCID69399063

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1

HCID69398694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40b5f5a852e945cc8b9a43ae4b91e30a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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