HRID2341261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11575

Benzene, iodo-

C6H5I

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID2734361

Indole-5-boronic acid

C8H8BNO2

PRODUCTS

生成物

HCID11458210

5-phenyl-1H-indole

C14H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2ee0ebb4f3742cca18ccc8f819578b7
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

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