HRID172412

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

HCID2060855

1-[3-(Trifluoromethyl)benzyl]piperazine

C12H15F3N2

结构：O=C(O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O

HCID67359280

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

HCID57400236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3714e67682749848fdd4f1e7889be32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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