HRID297559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

结构：N#Cc1ccc(-c2cc(CBr)cc(C(F)(F)F)c2)cc1

HCID58993490

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2Br)CC1

HCID58993626

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(-c3ccc(C#N)cc3)cc(C(F)(F)F)c2)(c2ccc(F)cc2Br)CC1

HCID58993540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0cf469f0f9244a3b5623f72c58107ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:30][CH2:31][c:32]1[cH:33][c:34](-[c:42]2[cH:43][cH:44][c:45]([C:48]#[N:49])[cH:46][cH:47]2)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1.[Br:7][c:8]1[c:9]([C:15]2([CH2:28][OH:29])[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[cH:10][cH:11][c:12]([F:14])[cH:13]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[K+:6]>>[Br:7][c:8]1[c:9]([C:15]2([CH2:28][O:29][CH2:31][c:32]3[cH:33][c:34](-[c:42]4[cH:43][cH:44][c:45]([C:48]#[N:49])[cH:46][cH:47]4)[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[cH:10][cH:11][c:12]([F:14])[cH:13]1