HRID315020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

HCID2757146

Benzene, 1-bromo-3-(methylsulfonyl)-

C7H7BrO2S

PRODUCTS

生成物

HCID21879230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c128bcf0b6e7499887bdac079067f704
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:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:5][cH:6][cH:7]1.[CH2:111]([OH:112])[CH2:113][CH3:114].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Na+:46].[O-:42][C:43]([OH:44])=[O:45].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]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.[OH2:110].[OH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[Pd:54].[Pd:55].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([CH2:13][OH:12])[cH:19][cH:18]2)[cH:3][c:4]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:5][cH:6][cH:7]1