HRID818632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15908

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

C8H17N3

HCID74939

3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID58295726

未命名化合物

PRODUCTS

生成物

结构：O=C1NC2(CCN(C(=O)C=Cc3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21

HCID67223703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cec2481cd3ed4e5f8d0882b70d5796a0
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

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