HRID92358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

HCID3826051

未命名化合物

HCID21906377

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(I)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID21906635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07059d886d374cb0a3a9f644c71de81a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH2:16]1.[CH3:17][O-:18].[CH3:53][OH:54].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:55][CH2:56][Cl:57].[NH2:26][c:27]1[c:28]([C:29](=[O:30])[NH:31][c:32]2[n:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:39][c:40]([I:43])[cH:41][cH:42]1.[Na+:19]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:14])[NH:26][c:27]2[c:28]([C:29](=[O:30])[NH:31][c:32]3[n:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[cH:39][c:40]([I:43])[cH:41][cH:42]2)[CH2:15][CH2:16]1