HRID126353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccncc1

HCID2737318

4-(Tributylstannyl)pyridine

C17H31NSn

结构：O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)OCO3)N(c1ncc(Br)cn1)C2

HCID12993036

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：O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)OCO3)N(c1ncc(-c3ccncc3)cn1)C2

HCID12993037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65a3abb657db439190e366370d383501
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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