HRID1239873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12

HCID59003280

未命名化合物

PRODUCTS

生成物

结构：CCOCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1

HCID59003346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c851ec87ed342b7a1f932d0975a52f7
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

[CH3:32][CH2:33][O-:34].[CH3:36][CH2:37][OH:38].[Cl:1][CH2:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][nH:16][c:17]3[c:18]([C:29](=[O:30])[NH2:31])[cH:19][c:20](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:21][c:22]23)[CH2:12][CH2:13]1.[Na+:35]>>[CH2:2]([CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][nH:16][c:17]3[c:18]([C:29](=[O:30])[NH2:31])[cH:19][c:20](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:21][c:22]23)[CH2:12][CH2:13]1)[O:34][CH2:33][CH3:32]