HRID208823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2736939

1-methylpiperidine-4-carboxylic acid

C7H13NO2

HCID43450845

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CNc1ccc2cc(NC(=O)C3CCN(C)CC3)ccc2n1

HCID86634421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f797612e18e0474bb1fc8739ac15c7e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:21]([F:22])([F:23])([F:24])[F:25].[C:76](=[O:77])([OH:78])[O-:79].[CH2:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:2][N:3]1[CH2:4][CH2:5][CH:6]([C:9](=[O:10])[OH:11])[CH2:7][CH2:8]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:55][O:56][c:57]1[c:58]([CH2:59][NH:60][c:61]2[n:62][c:63]3[cH:64][cH:65][c:66]([NH2:71])[cH:67][c:68]3[cH:69][cH:70]2)[cH:72][cH:73][cH:74][cH:75]1.[ClH:1].[ClH:43].[Na+:80].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:2][N:3]1[CH2:4][CH2:5][CH:6]([C:9](=[O:11])[NH:71][c:66]2[cH:65][cH:64][c:63]3[n:62][c:61]([NH:60][CH2:59][c:58]4[c:57]([O:56][CH3:55])[cH:75][cH:74][cH:73][cH:72]4)[cH:70][cH:69][c:68]3[cH:67]2)[CH2:7][CH2:8]1