HRID311320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6363

Isopropylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID86643847

未命名化合物

PRODUCTS

产物

HCID46853022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f8c52bd5d4ba49608b221e8ea9b879a9
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

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:36][CH:37]([CH3:38])[NH2:39].[Cl:1][c:2]1[n:3][c:4]([S:22][CH2:23][c:24]2[n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[s:27][cH:28]2)[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[OH2:40]>>[c:2]1([NH:39][CH:37]([CH3:36])[CH3:38])[n:3][c:4]([S:22][CH2:23][c:24]2[n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[s:27][cH:28]2)[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]