HRID698776

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

结构：Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

HCID10267953

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc1

HCID9872939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a84fd4779aef4a4fab89635f7a3f417c
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

[CH3:59][S:60]([CH3:61])=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[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[cH:38][n:39][c:40]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:41][cH:42]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[cH:38][n:39][c:40]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:41][cH:42]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12