HRID176576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID2727725

5-chloro-2-(methylsulfonyl)pyrimidine

C5H5ClN2O2S

结构：Cc1ccc(-c2c(OCCO)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID22282043

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(OCCOc3ncc(Cl)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID9850678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13ddc6537c5f4ea28c74ea857aed5d07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][OH:24])[n:18][n:19]2[CH3:20])[cH:9][cH:10]1.[CH3:50][C:51]([N:52]([CH3:53])[CH3:54])=[O:55].[Cl:34][c:35]1[cH:36][n:37][c:38]([S:41]([CH3:42])(=[O:43])=[O:44])[n:39][cH:40]1.[H-:32].[Na+:33].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][O:24][c:38]3[n:37][cH:36][c:35]([Cl:34])[cH:40][n:39]3)[n:18][n:19]2[CH3:20])[cH:9][cH:10]1