HRID1238358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID3090641

2-(4-acetylphenoxy)ethanol

C10H12O3

结构：COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID11135160

4-tert-Butyl-N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide

C25H24ClN5O4S

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOc1ccc(C(C)=O)cc1

HCID67695880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-906793c9aeeb43198e1293a3e566cd63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:37]([CH3:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([O:44][CH2:45][CH2:46][OH:47])[cH:48][cH:49]1.[CH3:53][C:54]([N:55]([CH3:56])[CH3:57])=[O:58].[Cl:1][c:2]1[c:3]([O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[c:4]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][n:13]2)[n:7]1.[ClH:52].[H-:50].[Na+:51]>>[c:2]1([O:47][CH2:46][CH2:45][O:44][c:43]2[cH:42][cH:41][c:40]([C:37]([CH3:38])=[O:39])[cH:49][cH:48]2)[c:3]([O:28][c:29]2[c:30]([O:35][CH3:36])[cH:31][cH:32][cH:33][cH:34]2)[c:4]([NH:14][S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]2)[n:5][c:6](-[c:8]2[n:9][cH:10][cH:11][cH:12][n:13]2)[n:7]1