HRID180709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3017584

4-(Diphenylmethoxy)piperidine

C18H21NO

HCID10398016

Propanamide, N-[4-(chloromethyl)-2-thiazolyl]-

C7H9ClN2OS

PRODUCTS

生成物

结构：CCC(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1

HCID14500896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-658a5cf4f06e48f89e26bc4fdda1664d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:33](=[O:34])([OH:35])[O-:36].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][c:3]1[n:4][c:5]([NH:8][C:9]([CH2:10][CH3:11])=[O:12])[s:6][cH:7]1.[Na+:37].[OH2:38].[c:13]1([CH:19]([O:20][CH:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[CH2:2]([c:3]1[n:4][c:5]([NH:8][C:9]([CH2:10][CH3:11])=[O:12])[s:6][cH:7]1)[N:24]1[CH2:23][CH2:22][CH:21]([O:20][CH:19]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:26][CH2:25]1