HRID141651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID97632

Methanesulfonamide, N-methyl-

C2H7NO2S

HCID166653

Hydride

H-

结构：CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(CO)c5)n4n3)cc2)CC1

HCID66711788

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(CN(C)S(C)(=O)=O)c5)n4n3)cc2)CC1

HCID66712312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26267cfcddce46c0acae54e50e851e71
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]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][c:26]([CH2:30][OH:31])[cH:27][cH:28][cH:29]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][S:40](=[O:41])(=[O:42])[Cl:43].[CH3:44][S:45]([OH:46])(=[O:47])=[O:48].[CH3:49][NH:50][S:51](=[O:52])(=[O:53])[CH3:54].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[H-:55].[Na+:56]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][c:26]([CH2:30][N:50]([CH3:49])[S:51](=[O:52])(=[O:53])[CH3:54])[cH:27][cH:28][cH:29]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1