HRID185353

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

HCID2773546

[4-(Morpholine-4-carbonyl)phenyl]boronic acid

C11H14BNO4

结构：Cn1c(Nc2ccccc2)ncc(-c2cc(F)c(Oc3ccnc4cc(I)sc34)cc2F)c1=O

HCID67348179

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：Cn1c(Nc2ccccc2)ncc(-c2cc(F)c(Oc3ccnc4cc(-c5ccc(C(=O)N6CCOCC6)cc5)sc34)cc2F)c1=O

HCID58949535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5de0b0ad4e5846a99c2c3a09a32d9924
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:60](=[O:61])([O-:62])[O-:63].[Cl-:53].[F:1][c:2]1[c:3](-[c:20]2[c:21](=[O:34])[n:22]([CH3:33])[c:23]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:24][cH:25]2)[cH:4][c:5]([F:19])[c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[cH:15][c:16]([I:18])[s:17]3)[cH:7]1.[Li+:52].[Na+:64].[Na+:65].[O:35]1[CH2:36][CH2:37][N:38]([C:41](=[O:42])[c:43]2[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]2)[CH2:39][CH2:40]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[F:1][c:2]1[c:3](-[c:20]2[c:21](=[O:34])[n:22]([CH3:33])[c:23]([NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:24][cH:25]2)[cH:4][c:5]([F:19])[c:6]([O:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[cH:15][c:16](-[c:46]2[cH:45][cH:44][c:43]([C:41]([N:38]4[CH2:37][CH2:36][O:35][CH2:40][CH2:39]4)=[O:42])[cH:48][cH:47]2)[s:17]3)[cH:7]1