HRID1232777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7813

4-Methylbenzenamine

C7H9N

HCID23938

Palladium

HCID95417

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

C17H14O

2 次

HCID21938660

2-Bromo-1-chloro-3-fluorobenzene

C6H3BrClF

PRODUCTS

生成物

HCID21100364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0111c8d67c0643ba9c46cc16c89f8863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([Cl:9])[cH:4][cH:5][cH:6][c:7]1[F:8].[CH3:10][c:11]1[cH:12][cH:13][c:14]([NH2:15])[cH:16][cH:17]1.[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH:26](=[CH:27][C:28]([CH:29]=[CH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:44](=[CH:45][C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)=[O:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[ClH:25].[OH2:63].[Pd:62]>>[c:2]1([NH:15][c:14]2[cH:13][cH:12][c:11]([CH3:10])[cH:17][cH:16]2)[c:3]([Cl:9])[cH:4][cH:5][cH:6][c:7]1[F:8]