HRID812617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

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

HCID145857617

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CCCCC(=O)O)c1

HCID145857673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d9ef2e686be462784ce4d945300bed0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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