HRID1575739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cncn4C)cn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4155456e07f46ec8f38a43199f88b7a
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

[CH2:34]([O:36][C:37](=[O:35])[c:38]1[cH:39][c:40](-[n:45]2[n:46][cH:47][c:48](-[c:50]3[n:51]([CH3:55])[cH:52][n:53][cH:54]3)[cH:49]2)[c:41]([CH3:44])[cH:42][cH:43]1)[CH3:56].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:19][CH2:20][CH2:21][CH2:22][Li:23].[CH3:25][Si:26]([N-:27][Si:28]([CH3:29])([CH3:30])[CH3:31])([CH3:32])[CH3:33].[CH3:62][OH:63].[Li+:24].[NH2:1][c:2]1[c:3]([O:17][CH3:18])[c:4]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1>>[NH:1]([c:2]1[c:3]([O:17][CH3:18])[c:4]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:7]1)[C:37](=[O:36])[c:38]1[cH:39][c:40](-[n:45]2[n:46][cH:47][c:48](-[c:50]3[n:51]([CH3:55])[cH:52][n:53][cH:54]3)[cH:49]2)[c:41]([CH3:44])[cH:42][cH:43]1