HRID309864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID23398394

Methyl (5-bromopyridin-3-yl)acetate

C8H8BrNO2

结构：CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C

HCID57709106

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(-c3cncc(CC(=O)OC)c3)c(C)c2)cc1C

HCID57443509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2ff50da8e024fe6972fc38fac8b0302
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

[CH2:1]([CH3:2])[C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([c:15]2[cH:16][c:17]([CH3:30])[c:18]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:19][cH:20]2)[CH2:31][CH3:32])[cH:10][cH:11]1)([CH2:34][CH3:35])[OH:36].[CH3:37][O:38][C:39]([CH2:40][c:41]1[cH:42][n:43][cH:44][c:45]([Br:47])[cH:46]1)=[O:48].[K+:54].[K+:55].[K+:56].[OH2:134].[P:49]([O-:50])([O-:51])([O-:52])=[O:53].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([C:12]([CH2:13][CH3:14])([c:15]2[cH:16][c:17]([CH3:30])[c:18](-[c:45]3[cH:44][n:43][cH:42][c:41]([CH2:40][C:39]([O:38][CH3:37])=[O:48])[cH:46]3)[cH:19][cH:20]2)[CH2:31][CH3:32])[cH:10][cH:11]1)([CH2:34][CH3:35])[OH:36]