HRID88332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18525751

1-Methyl-1H-indole-5-sulfonyl chloride

C9H8ClNO2S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccc5c(ccn5C)c4)CC3)C(=O)C2(C)C)cc1OC

HCID67364464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e8a3e2449674d9ba6f6a9c19cb250e9
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]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:25][n:26]1[cH:27][cH:28][c:29]2[cH:30][c:31]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:32][cH:33][c:34]12>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([S:35]([c:31]4[cH:30][c:29]5[cH:28][cH:27][n:26]([CH3:25])[c:34]5[cH:33][cH:32]4)(=[O:36])=[O:37])[CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10]