HRID2346815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID574072

Trimethylboroxine

C3H9B3O3

结构：O=C(NC1(c2ccccc2)CC1)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)c(Br)c3c2)c1

HCID67218031

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：Cc1c(-c2ccc(F)cc2)oc2ncc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cc12

HCID67217932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9fa76aa33904e3583134e98894fafb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)[o:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:14](=[O:15])[NH:16][C:17]4([c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)[CH2:18][CH2:19]4)[cH:26][cH:27][cH:28]3)[cH:9][c:10]12.[C:45](=[O:46])([O-:47])[O-:48].[CH3:36][B:37]1[O:38][B:39]([CH3:40])[O:41][B:42]([CH3:43])[O:44]1.[Na+:49].[Na+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1([CH3:36])[c:3](-[c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)[o:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:14](=[O:15])[NH:16][C:17]4([c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)[CH2:18][CH2:19]4)[cH:26][cH:27][cH:28]3)[cH:9][c:10]12