HRID699078

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+

HCID31374

Dimethylacetamide

C4H9NO

HCID74404

2-Chloropyrimidine

C4H3ClN2

HCID166653

Hydride

H-

结构：COc1cccc(Oc2c(NCCO)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID19689474

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Oc2c(NCCOc3ncccn3)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID11006147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8d2fde549ec464ba7dfe0c6f01d4319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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[n:16][cH:17][n:18][c:19]([NH:30][CH2:31][CH2:32][OH:33])[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH3:45][C:46]([N:47]([CH3:48])[CH3:49])=[O:50].[Cl-:43].[Cl:36][c:37]1[n:38][cH:39][cH:40][cH:41][n:42]1.[H-:34].[NH4+:44].[Na+:35]>>[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[n:16][cH:17][n:18][c:19]([NH:30][CH2:31][CH2:32][O:33][c:37]3[n:38][cH:39][cH:40][cH:41][n:42]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1