HRID296093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID57600095

未命名化合物

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)C5)c(C)c4)C3)o2)cc1

HCID56599193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9643a98dbf334df59863d5f5411e0ab0
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

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