HRID139137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID798

Indole

C8H7N

HCID1140

Toluene

C7H8

HCID7810

4-Chlorotoluene

C7H7Cl

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

PRODUCTS

生成物

HCID9794286

N-(4-methylphenyl)indole

C15H13N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d7f16ddef1e45f8a6759449939a00a9
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

[C:1](=[O:2])([O-:3])[O-:4].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]1.[Cs+:5].[Cs+:6].[O:26]=[C:27]([CH:28]=[CH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH:36]=[CH:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Pd:24].[Pd:25].[nH:7]1[cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>>[n:7]1(-[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12