HRID298081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID21828700

tert-Butyl azetidine-3-carboxylate

C8H15NO2

结构：CCCc1c(-c2nc(-c3ccc(C(O)CBr)cc3)no2)noc1-c1ccccc1

HCID58374087

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(-c2nc(-c3ccc(C(O)CN4CC(C(=O)OC(C)(C)C)C4)cc3)no2)noc1-c1ccccc1

HCID58374129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e44c05f55084e8ab7cbb1b0ab728054
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][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1.[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:45][S:46]([CH3:47])=[O:48].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1>>[CH2:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1)[N:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1