HRID2350532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4cccc(-c5ccncc5)c4c3C)cc2)cc1)C(C)C

HCID68715326

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc3)cc2)oc2cccc(-c3ccncc3)c12

HCID68713936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62b341d8f1274733a8c9fe093ae9af03
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

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