HRID2339705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID284

Formic acid

CH2O2

HCID6342

Acetonitrile

C2H3N

HCID7622

Tributylamine

C12H27N

HCID105144

Palladium(2+)

Pd+2

结构：C=C(COc1cc2c(cc1I)C(C)(C)CCC2(C)C)c1ccc(Br)s1

HCID70195815

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C)(C)c2cc3c(cc21)OCC3(C)c1ccc(Br)s1

HCID70195908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b79e875c5244e5853986375685cc21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:17][c:18]1[cH:19][cH:20][c:21]([C:23](=[CH2:24])[CH2:25][O:26][c:27]2[cH:28][c:29]3[c:34]([cH:35][c:36]2[I:37])[C:33]([CH3:38])([CH3:39])[CH2:32][CH2:31][C:30]3([CH3:40])[CH3:41])[s:22]1.[C:45]([O-:46])(=[O:47])[CH3:48].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][CH3:13].[CH3:42][C:43]#[N:44].[CH:14]([OH:15])=[O:16].[Pd+2:53]>>[Br:17][c:18]1[cH:19][cH:20][c:21]([C:23]2([CH3:24])[CH2:25][O:26][c:27]3[cH:28][c:29]4[c:34]([cH:35][c:36]32)[C:33]([CH3:38])([CH3:39])[CH2:32][CH2:31][C:30]4([CH3:40])[CH3:41])[s:22]1