HRID663496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID12053

2-Phenylpropan-2-ol

C9H12O

HCID3280088

未命名化合物

HCID10514345

未命名化合物

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID68680853

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)(C)c2ccccc2)CC1

HCID68681432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b31f613946af431c9477c02505221d3d
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

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