HRID2347160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID14391490

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc2c(c1)N(CCCN1CCC(C(=O)c3ccc(F)cc3)CC1)c1ccccc1S2

HCID14391491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c3926d19d7e4724a312ee65d549e71f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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