HRID1236238

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

HCID58257801

未命名化合物

HCID67090963

未命名化合物

PRODUCTS

生成物

结构：OC1(c2cccc(Sc3ccc4c(ccc5nnc(-c6ccccn6)n54)c3)c2)CCOCC1

HCID52933726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3780826fada74a2087fffb12604a12f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:86]1[O:87][CH2:88][CH2:89][O:90][CH2:91]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[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)[c:12](-[c:15]1[n:16][cH:17][cH:18][cH:19][cH:20]1)[n:13][n:14]3.[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]=[C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)[CH:140]=[CH:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:92].[Pd:93].[SH:30][c:31]1[cH:32][c:33]([C:37]2([OH:43])[CH2:38][CH2:39][O:40][CH2:41][CH2:42]2)[cH:34][cH:35][cH:36]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[c:53]3[c:77]([cH:78][cH:79][cH:80]2)[C:74]([CH3:75])([CH3:76])[c:56]2[c:55]([c:60]([P:61]([c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[c:68]4[cH:69][cH:70][cH:71][cH:72][cH:73]4)[cH:59][cH:58][cH:57]2)[O:54]3)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1([S:30][c:31]2[cH:32][c:33]([C:37]3([OH:43])[CH2:38][CH2:39][O:40][CH2:41][CH2:42]3)[cH:34][cH:35][cH:36]2)[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[c:12](-[c:15]1[n:16][cH:17][cH:18][cH:19][cH:20]1)[n:13][n:14]3