HRID100018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2773526

4-(N-Methylaminocarbonyl)phenylboronic acid

C8H10BNO3

结构：Cn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc4cc(I)sc34)c(F)c2)c1=O

HCID67348495

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：CNC(=O)c1ccc(-c2cc3nccc(Oc4ccc(-c5cnc(Nc6ccccc6)n(C)c5=O)cc4F)c3s2)cc1

HCID58949520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef480ead8caa4254ac572fd94e747b3e
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

[C:55](=[O:56])([O-:57])[O-:58].[CH3:34][NH:35][C:36](=[O:37])[c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1.[Cl-:47].[F:1][c:2]1[cH:3][c:4](-[c:19]2[c:20](=[O:33])[n:21]([CH3:32])[c:22]([NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:23][cH:24]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([I:18])[s:17]2.[Li+:48].[Na+:59].[Na+:60].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[F:1][c:2]1[cH:3][c:4](-[c:19]2[c:20](=[O:33])[n:21]([CH3:32])[c:22]([NH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:23][cH:24]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:41]1[cH:40][cH:39][c:38]([C:36]([NH:35][CH3:34])=[O:37])[cH:43][cH:42]1)[s:17]2