HRID933433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID66174

2-Amino-5-chloropyridine

C5H5ClN2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOCC(Oc1ncnc2c1cnn2-c1ncccc1C(F)(F)F)C(=O)OC

HCID57504496

未命名化合物

PRODUCTS

生成物

结构：CCOCC(Oc1ncnc2c1cnn2-c1ncccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cn1

HCID76550369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29517516675f41d48dee12d6f1bd6a99
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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