HRID675342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12219

Ethylmethylamine

C3H9N

结构：Cc1ccc(S(=O)(=O)OCC2CCc3ccc(S(C)(=O)=O)cc3O2)cc1

HCID86652940

未命名化合物

结构：CC(C)(C)CNCC1COc2ccc(S(C)(=O)=O)cc2O1

HCID178446331

未命名化合物

PRODUCTS

生成物

HCID44468652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4526755407d94b43baaf0ece1c14f4d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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