HRID88767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl Acetate

C4H8O2

HCID5151342

4-(3-Hydroxypropyl)phenylboronic acid

C9H13BO3

HCID60372773

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID58966941

1-(4-chlorobenzyl)-5-(4-(3-hydroxypropyl)phenyl)pyridin-2(1H)-one

C21H20ClNO2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db02f679ba1444529aa4527f72b87dd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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