HRID183987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

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

HCID4738271

2-Bromo-5-iodopyridine

C5H3BrIN

PRODUCTS

生成物

HCID23092131

4-(6-Bromopyridin-3-yl)morpholine

C9H11BrN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dda2f6ba5e36495482a8f0fd2791f34e
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

[Br:55][c:56]1[n:57][cH:58][c:59]([I:62])[cH:60][cH:61]1.[CH2:49]1[CH2:50][O:51][CH2:52][CH2:53][NH:54]1.[CH3:126][CH2:127][O:128][C:129](=[O:130])[CH3:131].[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Na+:48].[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:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]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.[OH2:132].[Pd:70].[Pd:71].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH2:49]1[CH2:50][O:51][CH2:52][CH2:53][N:54]1[c:59]1[cH:58][n:57][c:56]([Br:55])[cH:61][cH:60]1