HRID1568246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID15541517

tert-Butyl 4-bromopiperidine-1-carboxylate

C10H18BrNO2

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)nc3[nH]ncc23)c(=O)[nH]1

HCID86703411

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1

HCID86703412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-779e53a8f619499fa04a067ba28c817e
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

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