HRID292583

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

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID2734648

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

结构：O=C(OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1

HCID17750009

Benzyl 2-(benzyloxy)-5-bromobenzoate

C21H17BrO3

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1cc(-c2ccncc2)ccc1OCc1ccccc1

HCID66990917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1606530177e479f90431c49bf4c0eb6
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

[C:16](=[O:17])([OH:18])[O-:19].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][c:42]([Br:45])[cH:43][cH:44]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][n:12][cH:13][cH:14]2)[O:15]1.[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH3:94][O:95][CH2:96][CH2:97][O:98][CH3:99].[Na+:20].[OH2:93].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:9]1(-[c:42]2[cH:41][c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:29]([O:28][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:44][cH:43]2)[cH:10][cH:11][n:12][cH:13][cH:14]1