HRID206784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C(=O)O)N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID22016973

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N1CCOCC1)N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID178459978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-909cd837025f4377add828ab3cfc2a07
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-:23]([F:24])([F:25])([F:26])[F:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:22])[N:14]([CH:17]([C:18](=[O:19])[OH:20])[CH3:21])[CH2:15][CH2:16]1.[CH2:54]1[CH2:55][O:56][CH2:57][CH2:58][NH:59]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl-:60].[NH4+:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:22])[N:14]([CH:17]([C:18](=[O:20])[N:59]2[CH2:54][CH2:55][O:56][CH2:57][CH2:58]2)[CH3:21])[CH2:15][CH2:16]1