HRID143689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21865450

6-Bromo-3,4-dihydroisoquinolin-1(2H)-one

C9H8BrNO

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(N(C(=O)OC(C)(C)C)c2ccc(N3CCOCC3)cc2)c2ncnn12

HCID67047357

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccc3c(c2)CCNC3=O)n2ncnc12

HCID67047378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee71a6fa427f41ecbb2fb75e8f8ec831
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:43][c:44]1[cH:45][c:46]2[c:51]([cH:52][cH:53]1)[C:50](=[O:54])[NH:49][CH2:48][CH2:47]2.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[c:9]2[n:10]([c:11]([Sn:14]([CH2:15][CH2:16][CH2:17][CH3:18])([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH3:26])[cH:12][n:13]1)[n:27][cH:28][n:29]2)[c:30]1[cH:31][cH:32][c:33]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:34][cH:35]1)=[O:42].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[c:9]2[n:10]([c:11](-[c:44]3[cH:45][c:46]4[c:51]([cH:52][cH:53]3)[C:50](=[O:54])[NH:49][CH2:48][CH2:47]4)[cH:12][n:13]1)[n:27][cH:28][n:29]2)[c:30]1[cH:31][cH:32][c:33]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:34][cH:35]1)=[O:42]