HRID108788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID6276

1-Pentanol

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

结构：CCC(O)(CC(=O)OC(C)(C)C)c1ccn(Cc2cc3cc(OCc4ccccc4)c(F)cc3nc2I)c(=O)c1

HCID10908472

未命名化合物

PRODUCTS

生成物

HCID11047852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7b0d9c9010945e19fc8708bdfe22e9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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