HRID142279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID21188829

tert-Butyl 3-(2-bromoethyl)piperidine-1-carboxylate

C12H22BrNO2

结构：Clc1ccc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1

HCID178478226

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(CCn2c(COc3ccc(Cl)cc3)nc3c(OCc4ccccc4)cccc32)C1

HCID21188568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30881f5eafec4ef3aa2ec162d01f1711
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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