HRID2325355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID709161

未命名化合物

HCID86648952

未命名化合物

PRODUCTS

产物

HCID49839564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-94a4db56b37041be8818e114c94fd515
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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