HRID120582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID68829174

未命名化合物

PRODUCTS

产物

HCID68832561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3db6c5f376444839b97aec34ba6ed057
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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