HRID301968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7912

Diisopropylamine

C6H15N

HCID1531432

N-(cyclopropylmethyl)cyclohexanamine

C10H19N

结构：COC(=O)CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ncn2)c(C)c1

HCID59446951

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1

HCID67528632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8791db4fdcd4af1ad0e2ccca7699ca2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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