HRID1221111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID61140

n-Butyl chloroformate

C5H9ClO2

HCID11019020

未命名化合物

结构：CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(S(N)(=O)=O)s1

HCID11394744

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1

HCID9804984

Butyl ({3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-isobutyl-2-thienyl}sulfonyl)carbamate

C23H29N3O4S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8308f220031b443085a8a09586fb2c34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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