HRID672488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nccn1C

HCID2763252

1-Methyl-2-(tributylstannyl)-1H-imidazole

C16H32N2Sn

结构：NC(=O)c1c(F)ccc(OCc2nc3ccc(Br)nc3s2)c1F

HCID86643277

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1-c1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2n1

HCID66619680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24598b21382e45449335c4605e60072a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][O:12][c:13]1[c:14]([F:23])[c:15]([C:16](=[O:17])[NH2:18])[c:19]([F:22])[cH:20][cH:21]1)[n:10]2.[CH3:24][n:25]1[c:26]([Sn:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[n:27][cH:28][cH:29]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1(-[c:26]2[n:25]([CH3:24])[cH:29][cH:28][n:27]2)[cH:3][cH:4][c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][O:12][c:13]1[c:14]([F:23])[c:15]([C:16](=[O:17])[NH2:18])[c:19]([F:22])[cH:20][cH:21]1)[n:10]2