HRID2311175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID5817

3,4-Dichlorobenzoic acid

C7H4Cl2O2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57542079

未命名化合物

结构：COC(=O)Cc1cnc(Cc2ccc([N+](=O)[O-])cc2)n2ccnc12

HCID57542081

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cnc(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n2ccnc12

HCID57542077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4419cab2002b401ca3f47307f150fb3a
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

[CH2:76]([N:77]=[C:78]=[N:79][CH2:80][CH2:81][CH2:82][N:83]([CH3:84])[CH3:85])[CH3:86].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[CH3:87][OH:88].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[Cl:47][c:48]1[cH:49][c:50]([C:51](=[O:52])[OH:53])[cH:54][cH:55][c:56]1[Cl:57].[Cl:95][CH2:96][Cl:97].[ClH:75].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][cH:11][c:12]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[c:13]3[n:14]2[cH:15][cH:16][n:17]3)[cH:23][cH:24]1.[NH2:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][c:31]2[n:32]3[cH:33][cH:34][n:35][c:36]3[c:37]([CH2:38][C:39]([O:40][CH3:41])=[O:42])[cH:43][n:44]2)[cH:45][cH:46]1.[OH:58][n:59]1[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH:1]([c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][cH:11][c:12]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[c:13]3[n:14]2[cH:15][cH:16][n:17]3)[cH:23][cH:24]1)[C:51]([c:50]1[cH:49][c:48]([Cl:47])[c:56]([Cl:57])[cH:55][cH:54]1)=[O:52]