HRID811957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9968

Benzoic acid, 3-fluoro-

C7H5FO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID66839300

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)NNC(=O)c2cccc(F)c2)ccc1-n1cnc(C)c1

HCID77220313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65024e7e241a4da688bc60bfd3a36c3c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:11]([Cl:12])[CH2:13][Cl:14].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH:31]=[CH:32][C:33](=[O:34])[NH:35][NH2:36])[cH:22][cH:23][c:24]1-[n:25]1[cH:26][n:27][c:28]([CH3:30])[cH:29]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[ClH:15].[ClH:16].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[OH:37][C:38](=[O:39])[c:40]1[cH:41][cH:42][cH:43][c:44]([F:45])[cH:46]1>>[CH3:17][O:18][c:19]1[cH:20][c:21]([CH:31]=[CH:32][C:33](=[O:34])[NH:35][NH:36][C:38](=[O:37])[c:40]2[cH:41][cH:42][cH:43][c:44]([F:45])[cH:46]2)[cH:22][cH:23][c:24]1-[n:25]1[cH:26][n:27][c:28]([CH3:30])[cH:29]1