HRID2340138

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：COC(=O)C1(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccccc2)CC1

HCID22907095

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1

HCID22907230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4a53f0ea906422cb67aa9a9071f7ffb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([C:13]2([C:26](=[O:27])[O:28][CH3:29])[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:7][cH:8]1.[CH3:39][OH:40].[Na+:38].[OH-:37]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]([C:13]2([C:26](=[O:27])[OH:28])[CH2:14][CH2:15][N:16]([CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:7][cH:8]1