HRID91418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)O)cc2)cc(OC)c1

HCID57625395

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc(OC)c1

HCID57625372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eda9d044ac54965a9e149f0ac24c16a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:11][c:12]2[c:13]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]3)[n:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[n:21]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:54][N:55]1[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:61][CH2:62][Cl:63].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:11][c:12]2[c:13]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[N:58]4[CH2:57][CH2:56][N:55]([CH3:54])[CH2:60][CH2:59]4)[cH:33][cH:34]3)[n:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[n:21]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1