HRID1203013

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

HCID7368

Benzotrifluoride

C7H5F3

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID14387744

5-Bromo-2-methylpyrimidine

C5H5BrN2

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

HCID21935946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ace10b29d6df413ba6e0cc9386edfad3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH:15]([OH:16])[OH:17].[Br:7][c:8]1[cH:9][n:10][c:11]([CH3:14])[n:12][cH:13]1.[CH3:28][CH2:29][OH:30].[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[F:18][C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([F:26])[F:27].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:31].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([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)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:8]1(-[c:23]2[cH:22][cH:21][c:20]([C:19]([F:18])([F:26])[F:27])[cH:25][cH:24]2)[cH:9][n:10][c:11]([CH3:14])[n:12][cH:13]1