HRID1535936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID69883

o-(Trifluoromethyl)phenethylamine

C9H10F3N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O

HCID58012119

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)NCCc1ccccc1C(F)(F)F

HCID58012011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-127bf195865f460aae632abc267ab61b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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