HRID88265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

HCID59519385

未命名化合物

结构：C=COCCONC(=O)c1nn2ccnc2cc1Nc1ccc(Br)cc1F

HCID86599610

未命名化合物

PRODUCTS

生成物

结构：O=C(NOCCO)c1nn2ccnc2cc1Nc1ccc(Br)cc1F

HCID11327334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f77a87a77c534832b1f7602a6ad85cce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:28][c:29]1[cH:30][cH:31][c:32]([NH:33][c:34]2[c:35]([C:36]([OH:37])=[O:38])[n:39][n:40]3[cH:41][cH:42][n:43][c:44]3[cH:45]2)[c:46]([F:47])[cH:48]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[CH3:77][CH2:78][N:79]([CH2:80][CH3:81])[CH2:82][CH3:83].[CH3:84][CH2:85][O:86][C:87]([CH3:88])=[O:89].[CH:1](=[CH2:2])[O:3][CH2:4][CH2:5][O:6][NH:7][C:8](=[O:9])[c:10]1[c:11]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([Br:26])[cH:24][cH:25]2)[cH:12][c:13]2[n:14]([n:15]1)[cH:16][cH:17][n:18]2.[CH:70]([O:71][CH2:72][CH2:73][O:74][NH2:75])=[CH2:76].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1>>[OH:3][CH2:4][CH2:5][O:6][NH:7][C:8](=[O:9])[c:10]1[c:11]([NH:19][c:20]2[c:21]([F:27])[cH:22][c:23]([Br:26])[cH:24][cH:25]2)[cH:12][c:13]2[n:14]([n:15]1)[cH:16][cH:17][n:18]2