HRID310303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID95417

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

C17H14O

3 次

HCID2734624

4-Hydroxyphenylboronic acid pinacol ester

C12H17BO3

HCID14792376

未命名化合物

PRODUCTS

生成物

HCID86088129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c050c6e55444afe8568ed19e573a95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:45][c:46]1[cH:47][cH:48][c:49]([CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[s:50]1.[CH2:57]([OH:58])[CH3:59].[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]2)[O:44]1.[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[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.[OH2:123].[Pd:67].[Pd:68].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22].[c:60]1([CH3:61])[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:37]1(-[c:46]2[cH:47][cH:48][c:49]([CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56])[s:50]2)[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1