HRID671326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7237

o-Xylene

C8H10

HCID7509

Benzenemethanethiol

C7H8S

HCID19660

Carbonate Ion

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID10177211

未命名化合物

PRODUCTS

产物

HCID67457263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0fa9d25f71a24a5781233ba9c798aedc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br:15][c:16]1[cH:17][cH:18][c:19]([CH:22]2[CH2:23][N:24]([CH3:34])[CH2:25][c:26]3[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][c:31]32)[cH:20][cH:21]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44].[c:35]1([CH3:36])[c:37]([CH3:38])[cH:39][cH:40][cH:41][cH:42]1.[c:7]1([CH2:13][SH:14])[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1([CH2:13][S:14][c:16]2[cH:17][cH:18][c:19]([CH:22]3[CH2:23][N:24]([CH3:34])[CH2:25][c:26]4[c:27]([Cl:33])[cH:28][c:29]([Cl:32])[cH:30][c:31]43)[cH:20][cH:21]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1