HRID293292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID23503660

未命名化合物

HCID23503688

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc3c(C)c(C(F)(F)F)[nH]c23)cc1-c1cncnc1

HCID23503649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-099cb24310614895a1a330170a03094a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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