HRID1236634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：O=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1

HCID173664

N,3-Bis(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide

C22H17Cl2N3O

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1

HCID13825568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eecd22799484a6eb5f9af747953165a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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