HRID135986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID138486

1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester

C9H12BrNO2

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

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：CCOC(=O)c1[nH]c(C)c(-c2ccccc2C(F)(F)F)c1C

HCID59807541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af2f09a382ef42259a652b796606f79a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:13])[c:4]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[nH:5][c:6]1[CH3:7].[F:14][C:15]([c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1)([F:25])[F:26].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:114][cH:115]1>>[c:2]1(-[c:17]2[c:16]([C:15]([F:14])([F:25])[F:26])[cH:21][cH:20][cH:19][cH:18]2)[c:3]([CH3:13])[c:4]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[nH:5][c:6]1[CH3:7]