HRID669802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID12635529

2,2-Difluoro-2-phenylethan-1-amine

C8H9F2N

HCID58972924

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1nc(NCC(F)(F)c2ccccc2)ccc1Cl

HCID58972953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04930583acda4fea8a7dc64d124f18f0
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([Cl:13])[cH:9][cH:10][c:11]1[Cl:12])=[O:14].[F:15][C:16]([CH2:17][NH2:18])([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[F:25].[K+:31].[K+:32].[K+:33].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[Pd+2:59].[c:34]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1)[CH:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[n:7][c:8]([NH:18][CH2:17][C:16]([F:15])([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[F:25])[cH:9][cH:10][c:11]1[Cl:12])=[O:14]