HRID101890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

HCID166653

Hydride

H-

结构：Cc1ccc(-c2c(NS(=O)(=O)C=Cc3ccccc3)ncnc2OCCO)cc1

HCID69558483

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(NS(=O)(=O)C=Cc3ccccc3)ncnc2OCCOc2ccc(C(F)(F)F)cn2)cc1

HCID74047189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0158491e4e4a4919a79b47a13d229b07
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

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