HRID1206357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)C(F)(F)F)nc23)CC1

HCID12041812

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：CN1CCC(c2c[nH]c3ccc(-c4ccc(F)cc4)nc23)CC1

HCID9861467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83578747db7d4d82964a8406aa06aaeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:35](=[O:36])([OH:37])[O-:38].[CH:122]([Cl:123])([Cl:124])[Cl:125].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[n:8][c:9]2[c:10]([CH:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[cH:11][nH:12][c:13]2[cH:14][cH:15]1)(=[O:23])=[O:24].[Na+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH:25][B:26]([OH:27])[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([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)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:7]1(-[c:28]2[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]2)[n:8][c:9]2[c:10]([CH:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[cH:11][nH:12][c:13]2[cH:14][cH:15]1