HRID134161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID98713

1-Indanone, 4-bromo-

C9H7BrO

HCID105144

Palladium(2+)

Pd+2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

PRODUCTS

生成物

HCID21702067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f38265eba4f34bb281db1e14d0af9ee1
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:1][c:2]1[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[C:6](=[O:11])[CH2:5][CH2:4]2.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:67][CH2:68][OH:69].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1)([F:23])[F:24].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[OH2:66].[Pd+2:57].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18]2)[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[C:6](=[O:11])[CH2:5][CH2:4]2