HRID1228473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID22507737

(4-Methylpiperidin-4-yl)methanol

C7H15NO

结构：COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(C=O)c(C)c4)C3)o2)cc1

HCID58043156

Benzaldehyde, 4-[[1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbonyl]-3-azetidinyl]oxy]-2-methyl-

C21H19N3O5

PRODUCTS

生成物

结构：COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCC(C)(CO)CC5)c(C)c4)C3)o2)cc1

HCID58043129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3819078e9134ef9aefaea2a7a15f2f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][c:23]([CH3:29])[c:24]([CH:25]=[O:26])[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1.[CH3:31][C:32]1([CH2:38][OH:39])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:61][CH2:62][Cl:63].[ClH:30].[Na+:60]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][c:23]([CH3:29])[c:24]([CH2:25][N:35]5[CH2:34][CH2:33][C:32]([CH3:31])([CH2:38][OH:39])[CH2:37][CH2:36]5)[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1