HRID126660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID67359013

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(c2ccc(F)cc2)CC1

HCID67359503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7d43775700e4ebe8368bb26e4e09e47
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

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