HRID296515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：Cc1ccc(NC(=O)c2ccsc2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914662

未命名化合物

HCID54121991

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccsc2)cc1-c1ccc2c(C3CCNCC3)noc2c1

HCID10341918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9aa2717cc94f7b881d095ae069a163
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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