HRID2328189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID109000

2-Chloro-4-fluorobenzonitrile

C7H3ClFN

HCID3280088

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)c(Cl)c2)C1

HCID66657070

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N(c2ccc(F)c(Cl)c2)c2ccc(C#N)c(Cl)c2)C1

HCID66657226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c752d271f9794ff9b752dafea1fff91a
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

[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([NH:20][c:21]2[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]2)[CH2:18][CH2:19]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:39][Si:40]([N-:41][Si:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Cl:29][c:30]1[c:31]([C:32]#[N:33])[cH:34][cH:35][c:36]([F:38])[cH:37]1.[Na+:48].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:54]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH2:16][CH:17]([N:20]([c:21]2[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]2)[c:36]2[cH:35][cH:34][c:31]([C:32]#[N:33])[c:30]([Cl:29])[cH:37]2)[CH2:18][CH2:19]1