HRID152535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID24386

Thionyl chloride

Cl2OS

HCID1201003

3-Bromo-2-methylpyridine

C6H6BrN

HCID2733957

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cn1

HCID69489386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faa5df59fb704d5ca302f0faed958bca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:30][c:31]1[c:32]([CH3:33])[n:34][cH:35][cH:36][cH:37]1.[C:18]([c:19]1[cH:20][c:21]([B:22]([OH:23])[OH:24])[cH:25][cH:26][cH:27]1)([OH:28])=[O:29].[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47]([CH2:48][C:49]([c:50]1[cH:51][cH:52][cH:53][c:54](-[c:55]2[cH:56][cH:57][n:58][c:59]([CH3:60])[cH:61]2)[cH:62]1)=[O:63])=[O:64].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[c:10]2[cH:11][n:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:7][cH:8][cH:9]1)=[O:17].[CH3:65][C:66]#[N:67].[S:38]([Cl:39])([Cl:40])=[O:41].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[C:3]([c:4]1[cH:5][c:6](-[c:10]2[cH:11][n:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:7][cH:8][cH:9]1)(=[O:17])[CH2:48][C:47]([O:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:64]