HRID1120484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

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

HCID140482501

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)CCCCCCCCCCC(=O)O)c1

HCID140482506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c99bcea378234c6bb02381604ce1dfd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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