HRID140646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID28179

Fluoride

F-

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

HCID22329833

5-(4-Methylpiperazin-1-yl)pyridin-2-amine

C10H16N4

HCID66710791

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nn12

HCID66712554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dab87bda7b074d05b36a3d024cddeb47
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

[C:46]([OH:47])([CH3:48])([CH3:49])[CH3:50].[CH3:15][S:16](=[O:17])[c:18]1[n:19][n:20]2[c:21]([cH:22][n:23]1)[cH:24][cH:25][c:26]2-[c:27]1[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH2:14])[n:12][cH:13]2)[CH2:6][CH2:7]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cs+:36].[F-:35]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:18]3[n:19][n:20]4[c:21]([cH:22][n:23]3)[cH:24][cH:25][c:26]4-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[n:12][cH:13]2)[CH2:6][CH2:7]1