HRID2145777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：NC(=O)c1cc(-c2ccsc2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12

HCID59003281

未命名化合物

PRODUCTS

生成物

结构：CCOCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CC1

HCID59003301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4b684fbfe38463fa69835c1374dd93b
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

[CH3:32][CH2:33][O-:34].[CH3:35][CH2:36][OH:37].[CH3:38][S:39]([CH3:40])=[O:41].[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:28](=[O:29])[NH2:30])[cH:19][c:20](-[c:23]4[cH:24][s:25][cH:26][cH:27]4)[cH:21][c:22]23)[CH2:12][CH2:13]1.[Na+:31]>>[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:28](=[O:29])[NH2:30])[cH:19][c:20](-[c:23]4[cH:24][s:25][cH:26][cH:27]4)[cH:21][c:22]23)[CH2:12][CH2:13]1)[O:34][CH2:33][CH3:32]