HRID1137274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID204484

Propylphosphonic acid

C3H9O3P

HCID46835556

tert-Butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylate

C15H22N2O4

HCID67460157

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(OC2CN(C(=O)OC(C)(C)C)C2)c(OC)c1

HCID67463316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4f6f586f868405f9bb2eb317c3b4ce3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH:37]([O:39][c:40]2[c:41]([O:47][CH3:48])[cH:42][c:43]([NH2:46])[cH:44][cH:45]2)[CH2:38]1.[CH2:1]([P:2]([OH:3])(=[O:4])[OH:5])[CH2:6][CH3:7].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:49][N:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[Cl:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[s:16][c:17]([C:25](=[O:26])[OH:27])[c:18]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[n:19]2)[cH:13][cH:14]1>>[Cl:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[s:16][c:17]([C:25](=[O:27])[NH:46][c:43]3[cH:42][c:41]([O:47][CH3:48])[c:40]([O:39][CH:37]4[CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:38]4)[cH:45][cH:44]3)[c:18]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[n:19]2)[cH:13][cH:14]1