HRID1239762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24721512

未命名化合物

结构：Cn1c(Nc2ccnc(S(C)=O)n2)nc(-c2ccccc2)cc1=O

HCID57593119

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1cccc(CO)c1)Nc1nccc(Nc2nc(-c3ccccc3)cc(=O)n2C)n1

HCID57593127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-050411a82ad141aeb618c612995a5068
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

[CH3:13][S:14](=[O:15])[c:16]1[n:17][cH:18][cH:19][c:20]([NH:22][c:23]2[n:24][c:25](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:26][c:27](=[O:30])[n:28]2[CH3:29])[n:21]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][OH:11])[cH:7][cH:8][cH:9]1)[CH3:12]>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][OH:11])[cH:7][cH:8][cH:9]1)[CH3:12])[c:16]1[n:17][cH:18][cH:19][c:20]([NH:22][c:23]2[n:24][c:25](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:26][c:27](=[O:30])[n:28]2[CH3:29])[n:21]1