HRID1146939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

结构：O=C1C(Cc2cc3cc(Br)ccc3s2)CCN1C1CCCCC1

HCID11710884

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：O=C1C(Cc2cc3cc(-c4ccnc(F)c4)ccc3s2)CCN1C1CCCCC1

HCID11675896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa77542110f84dd1859eeb349acfb0b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([CH2:9][CH:10]3[C:11](=[O:21])[N:12]([CH:15]4[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]4)[CH2:13][CH2:14]3)[cH:8]2)[cH:22][cH:23]1.[C:36](=[O:37])([O-:38])[O-:39].[Cl-:34].[F:24][c:25]1[n:26][cH:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[cH:30]1.[Li+:35].[Na+:40].[Na+:41].[O:120]1[CH2:121][CH2:122][O:123][CH2:124][CH2:125]1.[OH2:119].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:29]2[cH:28][cH:27][n:26][c:25]([F:24])[cH:30]2)[cH:3][c:4]2[c:5]([s:6][c:7]([CH2:9][CH:10]3[C:11](=[O:21])[N:12]([CH:15]4[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]4)[CH2:13][CH2:14]3)[cH:8]2)[cH:22][cH:23]1