HRID1557677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID6909

Symclosene

C3Cl3N3O3

HCID549976

1-Hydroxy-2,2,6,6-tetramethylpiperidine

C9H19NO

结构：CC(C)(C)OC(=O)N1CCCC(C(O)(CCCCO)c2cccc(Cl)c2)C1

HCID72529726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(C2(c3cccc(Cl)c3)CCCC(=O)O2)C1

HCID68713867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1240b7719aa44958d11e06e0f2c548c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:33][C:34]1([CH3:43])[N:35]([O:36])[C:37]([CH3:38])([CH3:39])[CH2:40][CH2:41][CH2:42]1.[CH3:56][C:57](=[O:58])[CH3:59].[CH3:60][CH:61]([OH:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][OH:13])([OH:14])[CH:15]2[CH2:16][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]2)[cH:5][cH:6][cH:7]1.[Cl:44][n:45]1[c:46](=[O:47])[n:48]([Cl:49])[c:50](=[O:51])[n:52]([Cl:53])[c:54]1=[O:55].[Na+:32].[O-:28][C:29]([OH:30])=[O:31]>>[Cl:1][c:2]1[cH:3][c:4]([C:8]2([CH:15]3[CH2:16][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11][C:12](=[O:13])[O:14]2)[cH:5][cH:6][cH:7]1