HRID134773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2783132

2-Fluoro-4-methylphenylboronic acid

C7H8BFO2

结构：CC(NC(=O)c1cc(I)cc(-n2cnnn2)c1)c1ccco1

HCID57851438

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：Cc1ccc(-c2cc(C(=O)NC(C)c3ccco3)cc(-n3cnnn3)c2)c(F)c1

HCID57851346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96cc5db1f9b14aaeb15f3ea1cfb4aa9c
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

[C:34](=[O:35])([O-:36])[O-:37].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cs+:38].[Cs+:39].[F:23][c:24]1[c:25]([B:31]([OH:32])[OH:33])[cH:26][cH:27][c:28]([CH3:30])[cH:29]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1.[o:1]1[c:2]([CH:6]([CH3:7])[NH:8][C:9]([c:10]2[cH:11][c:12]([I:21])[cH:13][c:14](-[n:16]3[n:17][n:18][n:19][cH:20]3)[cH:15]2)=[O:22])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([CH:6]([CH3:7])[NH:8][C:9]([c:10]2[cH:11][c:12](-[c:25]3[c:24]([F:23])[cH:29][c:28]([CH3:30])[cH:27][cH:26]3)[cH:13][c:14](-[n:16]3[n:17][n:18][n:19][cH:20]3)[cH:15]2)=[O:22])[cH:3][cH:4][cH:5]1