HRID1570903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID66035

Benzenemethanamine, 4-methyl-

C8H11N

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID11701449

7-Chloro-1-isobutyl-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

C13H17ClN2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(CNc2nccc3c(C)c(C)n(CC(C)C)c23)cc1

HCID67143269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92b25c3b9ee64f67bdf7f49652d6ccc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][NH2:29])[cH:30][cH:31]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:7][c:8]1[n:9][cH:10][cH:11][c:12]2[c:13]1[n:14]([CH2:19][CH:20]([CH3:21])[CH3:22])[c:15]([CH3:18])[c:16]2[CH3:17].[Cs+:5].[Cs+:6].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[ClH:7].[c:8]1([NH:29][CH2:28][c:27]2[cH:26][cH:25][c:24]([CH3:23])[cH:31][cH:30]2)[n:9][cH:10][cH:11][c:12]2[c:13]1[n:14]([CH2:19][CH:20]([CH3:21])[CH3:22])[c:15]([CH3:18])[c:16]2[CH3:17]