HRID1547448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID137880

1,3-Dichloro-5-(chloromethyl)benzene

C7H5Cl3

HCID166653

Hydride

H-

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(OCCCC(=O)OC(C)(C)C)cn1

HCID66603218

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(Cl)cc(Cl)c1)c1ncc(OCCCC(=O)OC(C)(C)C)cn1

HCID66603221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7c323e10ac34edfa13ae590454d26d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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