HRID195672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID84648

Butanoic acid, 4-chloro-4-oxo-, ethyl ester

C6H9ClO3

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1

HCID145857623

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(=O)Nc1cccc(C)c1-c1cccc(S(=O)(=O)c2cc(C(=N)NC(=O)OC(C)(C)C)sc2SC)c1

HCID145857693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e293bbdfdb104f70aaa81dc374e72b6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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