HRID699007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

结构：CC(C)OC(=O)N1CCCC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn[nH]2)c2ccc(Cl)cc21

HCID178459687

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCCC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2ccc(Cl)cc21

HCID11721283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c31b7e39a28b46f3a254746aff0ae530
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

[CH3:49][C:50]([CH3:51])=[O:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:7][I:8].[Cl:58][CH2:59][Cl:60].[F:9][C:10]([c:11]1[cH:12][c:13]([CH2:14][N:15]([CH:16]2[c:17]3[c:18]([cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[N:19]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])[CH2:20][CH2:21][CH2:22]2)[c:34]2[n:35][n:36][n:37][nH:38]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:48]>>[CH3:4][n:37]1[n:36][n:35][c:34]([N:15]([CH2:14][c:13]2[cH:12][c:11]([C:10]([F:9])([F:46])[F:47])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]2)[CH:16]2[c:17]3[c:18]([cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[N:19]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])[CH2:20][CH2:21][CH2:22]2)[n:38]1