HRID1227447

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+

HCID57416144

2-Methoxy-4-[4-(morpholin-4-yl)piperidin-1-yl]aniline

C16H25N3O2

HCID66711275

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2ccc(-c3cccnc3)n2n1

HCID66712305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b859ab7583491e9274cc46eacf0029
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:51]([OH:52])([CH3:53])([CH3:54])[CH3:55].[CH3:1][O:2][c:3]1[c:4]([NH2:21])[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1.[CH3:22][S:23](=[O:24])[c:25]1[n:26][n:27]2[c:28]([cH:29][n:30]1)[cH:31][cH:32][c:33]2-[c:34]1[cH:35][n:36][cH:37][cH:38][cH:39]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cs+:41].[F-:40]>>[CH3:1][O:2][c:3]1[c:4]([NH:21][c:25]2[n:26][n:27]3[c:28]([cH:29][n:30]2)[cH:31][cH:32][c:33]3-[c:34]2[cH:35][n:36][cH:37][cH:38][cH:39]2)[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1