HRID694979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23398394

Methyl (5-bromopyridin-3-yl)acetate

C8H8BrNO2

结构：CCC(CC)(c1ccc(C#CC(OCOC)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708948

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(C#CC(OCOC)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57708920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd69e0ecea19421581cdb55a1ef07346
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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