HRID284864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1ccc(Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(CN2CCCN(C)CC2)cc1

HCID68816201

4-(4-methylhomopiperazin-1-ylmethyl)-N-[2-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

C30H33N7O

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID68816201

4-(4-methylhomopiperazin-1-ylmethyl)-N-[2-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

C30H33N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f48bf971d264116a6799aa304d1982b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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