HRID1238385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID23938

Palladium

2 次

HCID23994

Zinc

HCID84953

Propane, 1-iodo-2,2-dimethyl-

C5H11I

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

结构：Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1Br

HCID15486177

未命名化合物

PRODUCTS

生成物

结构：Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1CC(C)(C)C

HCID22609894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-172aba8d036a4efeb1fe56e4708eab5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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