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

N,N-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

生成物

结构：Cc1ccccc1C(=O)c1ccc(Nc2ccccc2NC(=O)COc2ccccc2)cc1Cl

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