HRID288705

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)cn1

HCID12988816

未命名化合物

HCID15908535

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3)c3ccccc23)cn1

HCID9957853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a452e3e59b840a4b874e08a02c5e162
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:54][S:55]([CH3:56])=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[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])[n:17][cH:18]1.[NH2:26][c:27]1[cH:28][cH:29][c:30]([O:37][CH2:38][c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]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])[n:17][cH:18]1)[NH:26][c:27]1[cH:28][cH:29][c:30]([O:37][CH2:38][c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12