HRID674144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID9931094

2,2,2-Trichloroethyl [3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamate

C17H20Cl3N3O2

HCID12074207

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)o3)c3ccccc23)cc1

HCID9937787

N-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N′-[4-[5-(4-morpholinylmethyl)-2-furanyl]-1-naphthalenyl]urea

C34H37N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e2ce37432fb4ef89b20d19c033e809b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:58][S:59]([CH3:60])=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:24][O:25][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]([C:20]([CH3:21])([CH3:22])[CH3:23])[n:11][n:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[NH2:26][c:27]1[cH:28][cH:29][c:30](-[c:37]2[o:38][c:39]([CH2:42][N:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[cH:40][cH:41]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12>>[C:5](=[O:6])([NH:7][c:8]1[cH:9][c:10]([C:20]([CH3:21])([CH3:22])[CH3:23])[n:11][n:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1)[NH:26][c:27]1[cH:28][cH:29][c:30](-[c:37]2[o:38][c:39]([CH2:42][N:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[cH:40][cH:41]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12