HRID154884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

HCID59565212

未命名化合物

PRODUCTS

生成物

结构：C=COCCONC(=O)c1ccn2cncc2c1Nc1ccc(I)cc1F

HCID59565197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f09149c36634d86957594ce0da3d9c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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