HRID1115050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6365

1,1-Dichloroethane

C2H4Cl2

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NOC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1

HCID22907047

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1

HCID15296601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cf41c66712c4f2e839692db220b4dc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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