HRID198155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID12288

4-Chloropyridine

C5H4ClN

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

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

HCID4574913

未命名化合物

结构：CCCNc1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12

HCID67095627

未命名化合物

PRODUCTS

生成物

结构：CCCN(c1ccncc1)c1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12

HCID58223465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c35278b8d50844ed9642ff4ad713e8fc
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

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