HRID670577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID18525782

1-Methyl-1H-indole-4-sulfonyl chloride

C9H8ClNO2S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID66616591

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5c4ccn5C)CC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID67365062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-620bad1bf4bd45309820a7b13b5bae62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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