HRID114572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID18786386

未命名化合物

HCID67091349

未命名化合物

PRODUCTS

生成物

结构：Cc1cn2c(ccc3cc(Sc4cccc(C5(C#N)CCOCC5)c4)ccc32)n1

HCID24876465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e713c7a13ce44a48b664a6846f4ebfa3
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

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