HRID126522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

HCID2320576

5-Amino-2-iodopyridine

C5H5IN2

结构：CCC[CH2][Sn]([CH]=Cc1cc(-c2cc(F)cnc2OC)cc(C(C)(C)C)c1OC)([CH2]CCC)[CH2]CCC

HCID67287596

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(F)cc1-c1cc(C=Cc2ccc(N)cn2)c(OC)c(C(C)(C)C)c1

HCID67286558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5dc13c2ceca4bbfa47d0a241549beec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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