HRID2128228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8855

Butyryl chloride

C4H7ClO

结构：CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID9935367

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa3534cfc6674475858afc386e3322f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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