HRID1575363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID2763215

4-Hydroxymethylthiazole

C4H5NOS

HCID3280088

未命名化合物

结构：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(S(C)(=O)=O)nc1

HCID66630813

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(OCc2cscn2)nc1

HCID11258351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a43ed74a33341faa0547e55e5d3eebc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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