HRID108224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID68516524

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：COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1CSC

HCID68511739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b68a0a15050847da8fd63d5aedfefe82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:10](=[O:11])[O:12][CH3:13])[c:5]([CH2:7][S:8][CH3:9])[o:6]1.[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[F:14][C:15]([c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1)([F:25])[F:26].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[OH2:116].[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:19]2[cH:18][cH:17][c:16]([C:15]([F:14])([F:25])[F:26])[cH:21][cH:20]2)[cH:3][c:4]([C:10](=[O:11])[O:12][CH3:13])[c:5]([CH2:7][S:8][CH3:9])[o:6]1