HRID136393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID11564613

3-(4-Methylpiperazin-1-yl)aniline

C11H17N3

HCID57974216

2-[(2,5-Dichloro-4-pyrimidinyl)amino]-N-(2-hydroxyethyl)benzamide

C13H12Cl2N4O2

PRODUCTS

生成物

结构：CN1CCN(c2cccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NCCO)n3)c2)CC1

HCID57974209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e88e4ddafc4449cbfd0cee6b891eef2
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

[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([c:29]2[cH:30][c:31]([NH2:32])[cH:33][cH:34][cH:35]2)[CH2:27][CH2:28]1.[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][OH:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1.[ClH:36]>>[c:2]1([NH:32][c:31]2[cH:30][c:29]([N:26]3[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]3)[cH:35][cH:34][cH:33]2)[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][OH:16])[cH:17][cH:18][cH:19][cH:20]2)[n:7]1