HRID2155992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID93912

4-(p-Tolyl)piperidin-4-ol

C12H17NO

HCID2344366

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2(O)CCN(CCNC(=O)Nc3cc(C)nc4ccccc34)CC2)cc1

HCID17956568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ee537546e9d496a822cfa7aa73a846b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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