HRID114457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID61140

n-Butyl chloroformate

C5H9ClO2

结构：CCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1C

HCID19939752

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3c(C)c(NC(=O)CCC)cnc32)cc1

HCID19939753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ab14942a66945a88edd742e509135d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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