HRID287230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID178418361

未命名化合物

结构：COCC(C)Oc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc(C(=O)Nc2ccn(C)n2)c1

HCID178495490

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc(C(=O)Nc2ccn(C)n2)c1

HCID69187173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8f3438b40004b6f8b26c9b5230dc9c0
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

[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:45][OH:46].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]3[n:12][n:13]([CH3:16])[cH:14][cH:15]3)[cH:17][c:18]([O:20][CH:21]([CH2:22][O:23][CH3:24])[CH3:25])[cH:19]2)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[cH:29]1.[H:43][H:44]>>[cH:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]3[n:12][n:13]([CH3:16])[cH:14][cH:15]3)[cH:17][c:18]([O:20][CH:21]([CH2:22][O:23][CH3:24])[CH3:25])[cH:19]2)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[cH:29]1