HRID2333687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID7444

C.I. Azoic Diazo Component 12

C7H8N2O2

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(N)cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1

HCID67316172

未命名化合物

HCID178507140

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1

HCID67316315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e83e2942ab149fb987b8336f1e101c4
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

[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH3:41][c:42]1[c:43]([NH2:44])[cH:45][c:46]([N+:49](=[O:50])[O-:51])[cH:47][cH:48]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cl:25][c:26]1[cH:27][c:28]([C:29]2([NH2:30])[CH:31]=[C:32]([Cl:33])[N:34]=[CH:35][NH:36]2)[cH:37][cH:38][c:39]1[F:40].[ClH:52].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[c:7]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][c:16]3[cH:17][c:18]([Cl:23])[c:19]([F:22])[cH:20][cH:21]3)[cH:14]2)[cH:24]1>>[c:9]1([NH:44][c:43]2[c:42]([CH3:41])[cH:48][cH:47][c:46]([N+:49](=[O:50])[O-:51])[cH:45]2)[n:10][cH:11][n:12][c:13]([NH:15][c:16]2[cH:17][c:18]([Cl:23])[c:19]([F:22])[cH:20][cH:21]2)[cH:14]1