HRID827314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID15649174

4-Methylpiperidin-4-ol

C6H13NO

结构：Clc1ccc2nc(-c3ccccc3)c(CNc3nccc(Cl)n3)n2c1

HCID86655125

未命名化合物

PRODUCTS

生成物

结构：CC1(O)CCN(c2ccnc(NCc3c(-c4ccccc4)nc4ccc(Cl)cn34)n2)CC1

HCID67029099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df1e96b98034569abae9c40c4f0ef2e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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