HRID167160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID16781260

3-(Aminomethyl)benzene-1-sulfonamide

C7H10N2O2S

结构：COc1ccc(-c2cnc3c(S(C)(=O)=O)nccn23)cc1

HCID58337175

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)cc1

HCID58337085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c44d8a7818a1439599556fc767acab71
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][S:2](=[O:3])(=[O:4])[c:5]1[c:6]2[n:7]([cH:8][cH:9][n:10]1)[c:11](-[c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:12][n:13]2.[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[NH2:22][CH2:23][c:24]1[cH:25][c:26]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:27][cH:28][cH:29]1>>[c:5]1([NH:22][CH2:23][c:24]2[cH:25][c:26]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:27][cH:28][cH:29]2)[c:6]2[n:7]([cH:8][cH:9][n:10]1)[c:11](-[c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[cH:12][n:13]2