HRID2314914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7582

Dicyclohexylamine

C12H23N

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734938

2-(Dicyclohexylphosphino)-2'-methylbiphenyl

C25H33P

HCID18980142

3-Borono-4-methylbenzoic acid

C8H9BO4

HCID178518904

未命名化合物

PRODUCTS

生成物

HCID178425877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a2106cd8e144ee3880d9965bc5b05c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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