HRID155634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

HCID95417

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

C17H14O

3 次

HCID518700

未命名化合物

PRODUCTS

生成物

HCID606073

Thiazole, 2-(phenylthio)-

C9H7NS2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3067db2690ab49ae89d7077fc77dd235
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

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