HRID143599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

结构：O=S(=O)(Oc1ccc2cc(-c3ccc(F)cc3)ccc2c1)C(F)(F)F

HCID86616734

未命名化合物

HCID178480602

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1Sc1ccc2cc(-c3ccc(F)cc3)ccc2c1

HCID68975178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b50144585405403e9de8b12771803294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][n:27]1[c:28]([SH:32])[n:29][cH:30][cH:31]1.[CH:75]([N:76]([CH:77]([CH3:78])[CH3:79])[CH2:80][CH3:81])([CH3:82])[CH3:83].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12](-[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:13][c:14]2[cH:15][cH:16]1)(=[O:24])=[O:25].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]=[C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)[CH:138]=[CH:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[O:84]1[CH2:85][CH2:86][O:87][CH2:88][CH2:89]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH2:146].[Pd:90].[Pd:91].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[c:42]3[c:66]([cH:67][cH:68][cH:69]2)[C:63]([CH3:64])([CH3:65])[c:45]2[c:44]([c:49]([P:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[cH:48][cH:47][cH:46]2)[O:43]3)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:7]1([S:32][c:28]2[n:27]([CH3:26])[cH:31][cH:30][n:29]2)[cH:8][c:9]2[cH:10][cH:11][c:12](-[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:13][c:14]2[cH:15][cH:16]1