HRID675234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2724942

未命名化合物

结构：O=Cc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1

HCID57500732

4-(5-Chloro-3-phenyl-1,6-naphthyridin-2-yl)benzaldehyde

C21H13ClN2O

HCID178420762

未命名化合物

PRODUCTS

生成物

结构：Clc1nccc2nc(-c3ccc(CN4CCC(c5nnc(-c6ncccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12

HCID178478339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ebd4d417aa4f2ea6a5b483c7512bbe
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

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