HRID211056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID10038320

未命名化合物

HCID57691389

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc3nnc(CNC(=O)OC(C)(C)C)n3n2)sn1

HCID57690989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6408a52d7b044563bc735f808e5a3a72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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