HRID1238517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID424447

4-Chloro-2-methylpyrimidine

C5H5ClN2

HCID18679487

未命名化合物

PRODUCTS

生成物

结构：Cc1nccc(N(C)CCCCOc2ccc3c(ccn3-c3ccc(F)cc3)c2)n1

HCID18679566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8b604d77f624f8f96ff80f74b29b2ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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