HRID2345055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

3 次

HCID1049

Pyridine

C5H5N

HCID1145

N,N-Dimethyl-methanamine-N-oxide

C3H9NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21

HCID19608041

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)(CO)c3ccccc32)cc1

HCID19607965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e65ec0b8f174b919a4af31697ede67f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:31]([OH:32])([CH3:33])([CH3:34])[CH3:35].[CH2:1]=[C:2]1[CH2:3][CH2:4][CH2:5][N:6]([C:13]([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21]([c:22]3[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:18][cH:19]2)=[O:30])[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:38][N+:39]([O-:40])([CH3:41])[CH3:42].[Na+:43].[OH2:36].[OH2:37].[OH2:54].[OH:44][S:45](=[O:46])[O-:47].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH2:1]([C:2]1([OH:37])[CH2:3][CH2:4][CH2:5][N:6]([C:13]([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21]([c:22]3[c:23]([CH3:28])[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:18][cH:19]2)=[O:30])[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)[OH:36]