HRID108939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID17750278

1H-Pyrazol-4-ylboronic acid

C3H5BN2O2

反应SMILES：C[Si](C)(C)CCOCn1nc2c(nc(-c3c(F)cccc3F)c3cc(I)ccc32)c1Br

HCID66770416

未命名化合物

反应SMILES：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

产物

反应SMILES：C[Si](C)(C)CCOCn1nc2c(nc(-c3c(F)cccc3F)c3cc(-c4cn[nH]c4)ccc32)c1Br

HCID66772201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-152f2b874a09421c8f92b3bb49e6bea4
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[n:3]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[n:4][c:5]2[c:6]1[n:7][c:8](-[c:16]1[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]1[F:22])[c:9]1[cH:10][c:11]([I:15])[cH:12][cH:13][c:14]21.[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:129].[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.[nH:38]1[n:39][cH:40][c:41]([B:43]([OH:44])[OH:45])[cH:42]1>>[Br:1][c:2]1[n:3]([CH2:24][O:25][CH2:26][CH2:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[n:4][c:5]2[c:6]1[n:7][c:8](-[c:16]1[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]1[F:22])[c:9]1[cH:10][c:11](-[c:41]3[cH:40][nH:39][n:38][cH:42]3)[cH:12][cH:13][c:14]21