HRID1573327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID103674

3-(Chloromethyl)-1-methylpiperidine

C7H14ClN

HCID5360545

Sodium

结构：N#Cc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)c(F)c3)ccnc2cc1O

HCID135829378

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC(COc2cc3nccc(Oc4ccc(NC(=O)Nc5ccc(F)cc5)c(F)c4)c3cc2C#N)C1

HCID22936564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17e8ab8543f143c29cc3e211b8772dec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:2](#[N:3])[c:4]1[cH:5][c:6]2[c:7]([O:15][c:16]3[cH:17][c:18]([F:33])[c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:20][cH:21]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[OH:14].[C:34](=[O:35])([O-:36])[O-:37].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[Cl:41][CH2:42][CH:43]1[CH2:44][N:45]([CH3:49])[CH2:46][CH2:47][CH2:48]1.[ClH:40].[K+:38].[K+:39].[Na:1].[OH2:50]>>[C:2](#[N:3])[c:4]1[cH:5][c:6]2[c:7]([O:15][c:16]3[cH:17][c:18]([F:33])[c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:20][cH:21]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH2:42][CH:43]1[CH2:44][N:45]([CH3:49])[CH2:46][CH2:47][CH2:48]1