HRID696576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID7016459

1-(3-Bromophenyl)pyrrolidine

C10H12BrN

HCID17982656

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CN2CCC1CC2)c1cc2cccc(-c3cccc(N4CCCC4)c3)c2o1

HCID17982679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d756576d1de64e9fa8c250b533436dff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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