HRID156801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

结构：C=[CH][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID81998

Ethynyltributylstannane

C14H30Sn

HCID5352426

Tin atom

结构：COC(=O)c1ccc(C)c(-n2cnc(OCc3ccc(F)cc3F)c(I)c2=O)c1

HCID21089020

未命名化合物

PRODUCTS

生成物

结构：C=Cc1c(OCc2ccc(F)cc2F)ncn(-c2cc(C(=O)OC)ccc2C)c1=O

HCID21090187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d20817e465d64aa69094db1d5c028d88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:30]([CH2:31][CH2:43][CH3:44])[Sn:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH:41]=[CH2:42].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][cH:8][n:9](-[c:14]3[cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22][c:23]3[CH3:24])[c:10](=[O:13])[c:11]2[I:12])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[Pd:51].[Sn:45]>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][cH:8][n:9](-[c:14]3[cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22][c:23]3[CH3:24])[c:10](=[O:13])[c:11]2[CH:30]=[CH2:31])[cH:25][cH:26][c:27]([F:29])[cH:28]1