HRID148213

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

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

结构：NC1=NC2(COC1)c1cc(Br)ccc1Oc1ccc(I)cc12

HCID67440035

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：NC1=NC2(COC1)c1cc(Br)ccc1Oc1ccc(-c3ccnc(F)c3)cc12

HCID67438538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f86d0d2f901848ea8a59c8b2c6ae4989
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:17][c:18]1[cH:19][c:20]2[c:21]([cH:22][cH:23]1)[O:24][c:25]1[cH:26][cH:27][c:28]([I:38])[cH:29][c:30]1[C:31]21[CH2:32][O:33][CH2:34][C:35]([NH2:37])=[N:36]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[F:7][c:8]1[n:9][cH:10][cH:11][c:12]([B:14]([OH:15])[OH:16])[cH:13]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[F:7][c:8]1[n:9][cH:10][cH:11][c:12](-[c:28]2[cH:27][cH:26][c:25]3[c:30]([cH:29]2)[C:31]2([c:20]4[cH:19][c:18]([Br:17])[cH:23][cH:22][c:21]4[O:24]3)[CH2:32][O:33][CH2:34][C:35]([NH2:37])=[N:36]2)[cH:13]1