HRID307021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID67435007

未命名化合物

PRODUCTS

产物

HCID67434762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-faba3a4769f04cbdb34b093c432b4fbb
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

[Br:1][c:2]1[c:3]([O:30][CH2:31][c:32]2[cH:33][c:34]([N+:38]([O-:39])=[O:40])[cH:35][cH:36][cH:37]2)[c:4]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:5][c:6]([CH:8]2[C:9]([C:23]#[N:24])=[C:10]([CH3:22])[NH:11][C:12]3=[C:17]2[C:16](=[O:18])[CH2:15][CH:14]([CH2:19][CH2:20][CH3:21])[CH2:13]3)[cH:7]1.[CH3:41][CH2:42][OH:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[OH2:44]>>[Br:1][c:2]1[c:3]([O:30][CH2:31][c:32]2[cH:33][c:34]([NH2:38])[cH:35][cH:36][cH:37]2)[c:4]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:5][c:6]([CH:8]2[C:9]([C:23]#[N:24])=[C:10]([CH3:22])[NH:11][C:12]3=[C:17]2[C:16](=[O:18])[CH2:15][CH:14]([CH2:19][CH2:20][CH3:21])[CH2:13]3)[cH:7]1