HRID2310379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID2762709

2-Methoxypyridine-3-boronic acid

C6H8BNO3

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1I

HCID71018565

未命名化合物

PRODUCTS

生成物

结构：COc1ncccc1-c1cn(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O

HCID178494106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eb80e9fe4db4cf1ad3d947971e95185
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:29][O:30][c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[B:37]([OH:38])[OH:39].[CH3:42][OH:43].[F-:40].[I:1][c:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1.[K+:41].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[c:2]1(-[c:36]2[c:31]([O:30][CH3:29])[n:32][cH:33][cH:34][cH:35]2)[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1