HRID694735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID45489910

5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-amine

C12H20N4

结构：COc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1C

HCID86641143

8-(2-Chloro-5-methoxy-3,6-dimethylphenyl)-5-quinoxalinecarboxylic acid

C18H15ClN2O3

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(C)c(OC)cc(C)c4Cl)c4nccnc34)nc2)CC1

HCID59292822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dbe825d0bb346f3bbe114ee2dbd5089
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

[CH2:26]([CH3:27])[N:28]1[CH2:29][CH2:30][N:31]([CH2:34][c:35]2[cH:36][cH:37][c:38]([NH2:41])[n:39][cH:40]2)[CH2:32][CH2:33]1.[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][c:15]([C:22](=[O:23])[OH:24])[c:16]3[n:17][cH:18][cH:19][n:20][c:21]23)[c:4]([CH3:11])[c:5]([O:9][CH3:10])[cH:6][c:7]1[CH3:8].[ClH:25]>>[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][c:15]([C:22](=[O:24])[NH:41][c:38]3[cH:37][cH:36][c:35]([CH2:34][N:31]4[CH2:30][CH2:29][N:28]([CH2:26][CH3:27])[CH2:33][CH2:32]4)[cH:40][n:39]3)[c:16]3[n:17][cH:18][cH:19][n:20][c:21]23)[c:4]([CH3:11])[c:5]([O:9][CH3:10])[cH:6][c:7]1[CH3:8]