HRID167326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID712

Formaldehyde

CH2O

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)c1cc(Br)cc(N(Cc2ccccc2)Cc2ccccc2)c1F

HCID68816369

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(C(=O)O)cc(N(Cc2ccccc2)Cc2ccccc2)c1F

HCID68814612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c3b502823944991bdb799053217a8fa
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

[C:67]=[O:68].[C:69]([CH3:70])([CH3:71])([CH3:72])[OH:73].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([F:27])[c:7]([N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:8][c:9]([Br:11])[cH:10]1)=[O:28].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:83][S:84]([CH3:85])=[O:86].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:66].[Pd+2:74].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([F:27])[c:7]([N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:8][c:9]([C:69](=[O:66])[OH:73])[cH:10]1)=[O:28]