HRID683211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID12590726

未命名化合物

HCID66839523

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNC(=O)C(OCCCl)c1ccc(F)cc1

HCID66839491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36795b4f82824eb09c5b751cb919f570
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:32]([NH:33][NH2:34])(=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl-:1].[Cl-:41].[Cl:17][CH2:18][CH2:19][O:20][CH:21]([C:22](=[O:23])[OH:24])[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1.[NH4+:42].[O:2]=[C:3]1[N:4]([P:5]([N:6]2[CH2:7][CH2:8][O:9][C:10]2=[O:11])(=[O:12])[OH:13])[CH2:14][CH2:15][O:16]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[Cl:17][CH2:18][CH2:19][O:20][CH:21]([C:22](=[O:24])[NH:34][NH:33][C:32](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1