HRID287902

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

HCID2734337

3,4-Difluorophenylboronic acid

C6H5BF2O2

HCID59731034

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：O=C(Nc1cccc2c1CC(O)CC2)c1ccc(-c2ccc(F)c(F)c2)cc1

HCID59731038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dc5f450ecb24436ad90c509d5335248
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

[F:27][c:28]1[cH:29][c:30]([B:35]([OH:36])[OH:37])[cH:31][cH:32][c:33]1[F:34].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:121].[OH:1][CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][c:9]([NH:12][C:13]([c:14]3[cH:15][cH:16][c:17]([I:20])[cH:18][cH:19]3)=[O:21])[c:10]2[CH2:11]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([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)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[OH:1][CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][c:9]([NH:12][C:13]([c:14]3[cH:15][cH:16][c:17](-[c:30]4[cH:29][c:28]([F:27])[c:33]([F:34])[cH:32][cH:31]4)[cH:18][cH:19]3)=[O:21])[c:10]2[CH2:11]1