HRID179913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID498716

未命名化合物

HCID57014931

未命名化合物

PRODUCTS

产物

HCID86752338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b983f46aa4d14f318333e2c24039cd21
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:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:6][CH2:7][N:8]([CH:11]([CH2:12][CH:13]([CH2:14][NH2:15])[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[CH2:9][CH2:10]1.[C:51]([BH3-:52])#[N:53].[C:61](=[O:62])([OH:63])[O-:64].[CH2:45]=[O:46].[CH3:47][C:48](=[O:49])[OH:50].[CH3:55][OH:56].[Cl:57][CH2:58][Cl:59].[Na+:54].[Na+:65].[OH2:60]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]1([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:6][CH2:7][N:8]([CH:11]([CH2:12][CH:13]([CH2:14][NH:15][CH3:47])[c:16]2[cH:17][c:18]([Cl:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)[CH2:9][CH2:10]1