HRID2154965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2759867

(1-Methyl-1H-indol-5-yl)boronic acid

C9H10BNO2

结构：CCOP(=O)(OCC)c1cc(Oc2nc3cc(I)c(Cl)cc3n2Cc2ccc(-c3ccccc3)cc2)ccc1C

HCID86761791

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)c1cc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3n2Cc2ccc(-c3ccccc3)cc2)ccc1C

HCID86761792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52870a3662e74fa8aeb30edb8451a0c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:54](=[O:55])([O-:56])[O-:57].[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[c:9]1[c:10]([CH3:40])[cH:11][cH:12][c:13]([O:15][c:16]2[n:17][c:18]3[c:19]([n:20]2[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]2)[cH:34][c:35]([Cl:39])[c:36]([I:38])[cH:37]3)[cH:14]1.[CH3:41][n:42]1[cH:43][cH:44][c:45]2[cH:46][c:47]([B:51]([OH:52])[OH:53])[cH:48][cH:49][c:50]12.[K+:58].[K+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[Pd:66].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:124]1([P:125]([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139][cH:140][cH:141][cH:142]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[c:9]1[c:10]([CH3:40])[cH:11][cH:12][c:13]([O:15][c:16]2[n:17][c:18]3[c:19]([n:20]2[CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]2)[cH:34][c:35]([Cl:39])[c:36](-[c:47]2[cH:46][c:45]4[cH:44][cH:43][n:42]([CH3:41])[c:50]4[cH:49][cH:48]2)[cH:37]3)[cH:14]1