HRID1230563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID19188

Phenoxyacetic acid

C8H8O3

HCID24386

Thionyl Chloride

Cl2OS

HCID9819157

未命名化合物

PRODUCTS

产物

HCID22174546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4b9a9b5c16d643448f91e8eaafdf4b7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Cl:16][c:17]1[c:18]([C:31](=[O:32])[c:33]2[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]2)[cH:19][cH:20][c:21]([NH:23][c:24]2[c:25]([NH2:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:22]1.[Cl:59][CH2:60][Cl:61].[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[OH:11].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[S:12]([Cl:13])([Cl:14])=[O:15]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:11])[NH:30][c:25]1[c:24]([NH:23][c:21]2[cH:20][cH:19][c:18]([C:31](=[O:32])[c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)[c:17]([Cl:16])[cH:22]2)[cH:29][cH:28][cH:27][cH:26]1