HRID285705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12076055

3-(2-pyridyl)-phenylacetic acid

C13H11NO2

PRODUCTS

生成物

HCID22620144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b698ad1ffff4b8599a9f34da6b0dcfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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