HRID170384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

反应SMILES：O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1

HCID23056

3-Quinuclidinyl benzilate

C21H23NO3

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID14194551

tert-Butyl (3-chloropropyl)methylcarbamate

C9H18ClNO2

PRODUCTS

产物

HCID312

Chloride

Cl-

反应SMILES：CN(CCC[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2)C(=O)OC(C)(C)C

HCID178483699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d674614c94114741966ec9232e1e6090
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][CH2:11][Cl:12])=[O:13].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[I-:55].[K+:48].[K+:49].[N:23]12[CH2:24][CH:25]([O:31][C:32]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[OH:46])=[O:47])[CH:26]([CH2:27][CH2:28]1)[CH2:29][CH2:30]2.[Na+:54].[O-:50][C:51]([O-:52])=[O:53].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][CH2:11][N+:23]12[CH2:24][CH:25]([O:31][C:32]([C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[OH:46])=[O:47])[CH:26]([CH2:27][CH2:28]1)[CH2:29][CH2:30]2)=[O:13].[Cl-:12]