HRID1569031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：COCOc1cc(-c2ccccc2S(C)(=O)=O)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID17856228

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(-c2ccccc2S(C)(=O)=O)cc1O

HCID17856227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5cb6644ed07e4490960ec5f062a76dcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:35][CH3:36])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:31][CH2:32][O:33][CH3:34])[cH:17][c:18](-[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[cH:8]1.[CH:38]([OH:39])([CH3:40])[CH3:41].[ClH:37].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:35][CH3:36])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([OH:31])[cH:17][c:18](-[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[cH:8]1