HRID144561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID573117

1-Methyl-1H-pyrazole-4-carbaldehyde

C5H6N2O

HCID2724942

未命名化合物

HCID11319180

未命名化合物

PRODUCTS

产物

HCID178450541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-977dadc74117400ba309f27bd3204d05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:43]2)[CH:20]=[C:21]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH:34]([c:35]4[n+:36]([O-:41])[cH:37][cH:38][cH:39][cH:40]4)[OH:42])[cH:32][cH:33]2)[CH2:22][CH2:23][NH:24]3)[cH:13][cH:14]1.[CH3:66][C:67](=[O:68])[OH:69].[CH:44](=[O:45])[c:46]1[cH:47][n:48][n:49]([CH3:51])[cH:50]1.[Cl:70][CH2:71][CH2:72][Cl:73].[Na+:65].[OH2:74]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:43]2)[CH:20]=[C:21]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([CH:34]([c:35]4[n+:36]([O-:41])[cH:37][cH:38][cH:39][cH:40]4)[OH:42])[cH:32][cH:33]2)[CH2:22][CH2:23][N:24]3[CH2:44][c:46]2[cH:47][n:48][n:49]([CH3:51])[cH:50]2)[cH:13][cH:14]1