HRID1129294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1

HCID13752557

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)C1(C)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1

HCID175855

Methyl 3-(4-chlorophenyl)-1-[(4-chlorophenyl)carbamoyl]-4-methyl-4,5-dihydro-1H-pyrazole-4-carboxylate

C19H17Cl2N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab8d8a7555f44f58ac79e77649c9a9e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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