HRID696991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993201

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCCN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID57993377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03ca11920d684e3188da4d857667232a
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

[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:28][CH2:29][Cl:30].[NH2:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[NH:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[CH2:8][CH2:9]1)[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36]