HRID1239278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID162362

2-Thiopheneacetyl chloride

C6H5ClOS

结构：COc1ccc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)cc1N1CCN(CCS(C)(=O)=O)CC1

HCID57737253

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)cc1N1CCN(CCS(C)(=O)=O)CC1

HCID57737153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5624f02679440e78e46edcef9ae5a1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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