HRID1207992

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+

HCID767100

2-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-ol

C12H19N3O

结构：CN(c1ccccc1-c1ccc2cnc(S(C)=O)nn12)S(C)(=O)=O

HCID54577677

未命名化合物

PRODUCTS

生成物

结构：CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nn12)S(C)(=O)=O

HCID66711037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f7a1dcc95834b318b4e992ffc6343a0
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

[C:52]([OH:53])([CH3:54])([CH3:55])[CH3:56].[CH3:17][S:18](=[O:19])[c:20]1[n:21][n:22]2[c:23]([cH:24][n:25]1)[cH:26][cH:27][c:28]2-[c:29]1[c:30]([N:35]([S:36](=[O:37])(=[O:38])[CH3:39])[CH3:40])[cH:31][cH:32][cH:33][cH:34]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cs+:42].[F-:41].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][OH:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][OH:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:20]1[n:21][n:22]2[c:23]([cH:24][n:25]1)[cH:26][cH:27][c:28]2-[c:29]1[c:30]([N:35]([S:36](=[O:37])(=[O:38])[CH3:39])[CH3:40])[cH:31][cH:32][cH:33][cH:34]1