HRID166692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1ccc(NC(=O)c2ccc(CNN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID9892492

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9892492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aedab33487904985887a6b658b4ae762
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

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