HRID2336802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COc1ccc(-c2ccc(S(=O)(=O)NC3C(=O)OC(CSc4nccs4)C3OCc3ccccc3)cc2)cc1

HCID23508284

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(OCc3ccccc3)C(O)CSc3nccs3)cc2)cc1

HCID23508254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a8d9af912f495d807d08ddd5f0e5d2
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

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]3[C:20](=[O:39])[O:21][CH:22]([CH2:32][S:33][c:34]4[s:35][cH:36][cH:37][n:38]4)[CH:23]3[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[Li+:40].[OH-:41].[OH2:47]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]([C:20]([OH:21])=[O:39])[CH:23]([CH:22]([CH2:32][S:33][c:34]3[s:35][cH:36][cH:37][n:38]3)[OH:41])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:13][cH:14]2)[cH:7][cH:8]1