HRID1145344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7622

Tributylamine

C12H27N

HCID11776

Triphenylphosphine

C18H15P

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID7015747

methyl 3-bromo-4-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

HCID22999486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-289ff4c122ce41a89e84f6b99ca5b483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[CH3:12].[C:26]([CH3:27])(=[O:28])[O-:29].[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:13][CH2:14][CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25].[Cs+:30].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59].[Pd+2:54].[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:26](=[O:28])[OH:29])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[CH3:12]