HRID683612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

2 次

结构：COc1ccc2ncc(=O)n(CCN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)OC(C)(C)C)CC3)c2n1

HCID57815243

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1

HCID24866867

4-[2-[4-[[(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl]amino]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one

C23H28N6O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b698195bb03340379ac0bf626b0ccab0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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