HRID2331085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID5943

Carbon tetrachloride

CCl4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14533

4-Aminophenylacetic acid

C8H9NO2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID159940

Disulfite

O5S2-2

HCID11229634

1,1'-[Peroxybis(methylene)]dibenzene

C14H14O2

HCID11369352

未命名化合物

PRODUCTS

生成物

结构：COc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2

HCID9864500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e9fe6fd73544c0bb25547bc7e583c36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[C:72]([Cl:73])([Cl:74])([Cl:75])[Cl:76].[CH2:29]([O:30][O:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:1][O:2][c:3]1[c:4]([CH3:20])[c:5]([C:15]([O:17][CH2:16][CH3:18])=[O:19])[c:6]([O:13][CH3:14])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:77][C:78](=[O:79])[OH:80].[NH2:45][c:46]1[cH:47][cH:48][c:49]([CH2:52][C:53](=[O:54])[OH:55])[cH:50][cH:51]1.[Na+:70].[Na+:71].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[S:63]([S:64]([O-:65])=[O:66])([O-:67])(=[O:68])=[O:69]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6]([O:13][CH3:14])[c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]13)[C:15](=[O:17])[N:45]([c:46]1[cH:47][cH:48][c:49]([CH2:52][C:53](=[O:54])[OH:55])[cH:50][cH:51]1)[CH2:20]2