HRID823031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1ccc2c(I)cn(C(=O)OC(C)(C)C)c2c1

HCID7127827

1-tert-Butyl 6-methyl 3-iodo-1H-indole-1,6-dicarboxylate

C15H16INO4

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(-c3ccccc3)cn(C(=O)OC(C)(C)C)c2c1

HCID59626044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-396df8f5624b4b11871828d36455f4da
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[I:1][c:2]1[cH:3][n:4]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12.[K+:36].[K+:37].[K+:38].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[OH:22][B:23]([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd+2:46]>>[c:2]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:3][n:4]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12