HRID1221478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID4684

4-Chlorophenol

C6H5ClO

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID8113

Diethanolamine

C4H11NO2

HCID15900

Dodecyl benzenesulfonate

C18H30O3S

HCID19660

Carbonate

CO3-2

2 次

HCID75590

9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy-

C14H8ClNO3

PRODUCTS

生成物

结构：Nc1c(Oc2ccc(Cl)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O

HCID170716

9,10-Anthracenedione, 1-amino-2-(4-chlorophenoxy)-4-hydroxy-

C20H12ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d8e4bff441e4abbbe2c64a66c6d4034
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

[C:1](=[O:2])([O-:3])[O-:4].[CH2:15]([O:16][S:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)(=[O:24])=[O:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:70][N+:71]([CH3:72])([CH3:73])[CH2:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl-:69].[Cl:7][c:8]1[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]1.[K+:5].[K+:6].[NH2:44][c:45]1[c:46]([Cl:62])[cH:47][c:48]([OH:61])[c:49]2[c:58]1[C:57](=[O:59])[c:56]1[c:51]([cH:52][cH:53][cH:54][cH:55]1)[C:50]2=[O:60].[NH:37]([CH2:38][CH2:39][OH:40])[CH2:41][CH2:42][OH:43].[Na+:63].[Na+:64].[O-:65][C:66](=[O:67])[O-:68].[OH2:81]>>[Cl:7][c:8]1[cH:9][cH:10][c:11]([O:14][c:46]2[c:45]([NH2:44])[c:58]3[c:49]([c:48]([OH:61])[cH:47]2)[C:50](=[O:60])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[C:57]3=[O:59])[cH:12][cH:13]1