HRID196085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID583466

2-Chloro-5-fluoropyrimidine

C4H2ClFN2

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(F)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID22281992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ea6897bc6cb40e99ea885ee3b287ae7
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.[C:49]([N:50]([CH3:51])[CH3:52])(=[O:53])[CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl-:42].[Cl:34][c:35]1[n:36][cH:37][c:38]([F:41])[cH:39][n:40]1.[H-:32].[NH4+:43].[Na+:33].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[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:35]3[n:36][cH:37][c:38]([F:41])[cH:39][n:40]3)[n:18][n:19]2[CH3:20])[cH:9][cH:10]1