HRID143870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID689082

2-chloro-8-methylquinoline-3-carbaldehyde

C11H8ClNO

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：Cc1cccc2cc(C=O)c(-c3ccccc3C(F)(F)F)nc12

HCID57556160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3237c3025bc483790b76b9942b60f4f
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

[CH3:34][C:35]#[N:36].[Cl:1][c:2]1[n:3][c:4]2[c:5]([CH3:14])[cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]1[CH:12]=[O:13].[F:15][C:16]([c:17]1[c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][cH:21][cH:22]1)([F:26])[F:27].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:37].[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:2]1(-[c:18]2[c:17]([C:16]([F:15])([F:26])[F:27])[cH:22][cH:21][cH:20][cH:19]2)[n:3][c:4]2[c:5]([CH3:14])[cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]1[CH:12]=[O:13]