HRID156102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7912

Diisopropylamine

C6H15N

HCID1531432

N-(cyclopropylmethyl)cyclohexanamine

C10H19N

结构：CCOC(=O)CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ncn2)c(C)c1

HCID59446961

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1

HCID67529929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-229d38aff9594c84b994e46d76a05252
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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