HRID200446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2756251

3-nitro-5-(trifluoromethyl)phenol

C7H4F3NO3

HCID21959416

tert-Butyl 3-{[(methanesulfonyl)oxy]methyl}azetidine-1-carboxylate

C10H19NO5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(COc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1

HCID22249408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e86740167b44fac9491fe41cf27fdec
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

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