HRID664986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID5462222

Potassium

HCID46220317

未命名化合物

结构：CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441684

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(Cl)c(COC(=O)C2CC(OC)C(O[N+](=O)[O-])C2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178441675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79ac52ddff8e40be9e3f68af3e44cbe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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