HRID1234793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

结构：CSc1nc2c(c(C)cn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)[nH]1

HCID135667582

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(C)cn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)n1C

HCID18919182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bababd56fe724d449e4d280d6c367cfd
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

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