HRID2317340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9731

4-Fluoroaniline

C6H6FN

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(F)cc1F

HCID22144626

1-(2,4-difluorobenzyl)-5-nitro-1H-indole-2-carboxylic acid

C16H10F2N2O4

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(F)cc1F

HCID22144644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-752397b9053e42599520402c8ff58a59
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

[CH3:25][N:26]([CH3:27])[CH2:28][CH2:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH3:35].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[Cl:54][CH2:55][Cl:56].[ClH:36].[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:17](=[O:18])[OH:19])[cH:7][c:8]3[cH:9][c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][c:13]23)[cH:20][cH:21][c:22]([F:24])[cH:23]1.[NH2:37][c:38]1[cH:39][cH:40][c:41]([F:42])[cH:43][cH:44]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:17](=[O:18])[NH:37][c:38]3[cH:39][cH:40][c:41]([F:42])[cH:43][cH:44]3)[cH:7][c:8]3[cH:9][c:10]([N+:14](=[O:15])[O-:16])[cH:11][cH:12][c:13]23)[cH:20][cH:21][c:22]([F:24])[cH:23]1