HRID137674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID411689

N,N-dimethylpiperidine-4-carboxamide

C8H16N2O

HCID21473990

2,4-Dichloro-7-fluoroquinazoline

C8H3Cl2FN2

PRODUCTS

生成物

结构：CN(C)C(=O)C1CCN(c2nc(Cl)nc3cc(F)ccc23)CC1

HCID57970126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec4dc8b659f4498893c98033445dacee
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

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