HRID684610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID98152

4-Piperidinol, 4-benzyl-

C12H17NO

HCID2344366

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1

HCID10173280

Palosuran

C25H30N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df56f3e74e354d5e9460fadc525a3c50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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