HRID281951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID66918

3-Chloropropyl(diethyl)amine

C7H16ClN

结构：COc1ccc(S(=O)(=O)c2c(-c3ccccc3)sc3ccccc23)cc1

HCID22768855

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCOc1ccc(S(=O)(=O)c2c(-c3ccccc3)sc3ccccc23)cc1

HCID22768880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e27632548f14e848c0dc6d463823ad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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