HRID934336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21009

Methyl 2-sulfanylbenzoate

C8H8O2S

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

HCID68903432

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1Sc1ccc2nc(-c3ccc(F)cc3)ccc2c1

HCID68901056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c88c2392429448b2906a9a5aab140044
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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