HRID309618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

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

HCID178420141

未命名化合物

PRODUCTS

生成物

结构：Clc1nccc2nc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12

HCID178478337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8b1af847f484d3599cb39b3a5105dcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:70][N:71]1[CH2:72][CH2:73][CH2:74][C:75]1=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[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.[ClH:26].[ClH:27].[NH:28]1[CH2:29][CH2:30][CH:31]([c:34]2[n:35][nH:36][c:37](-[c:39]3[n:40][cH:41][cH:42][cH:43][cH:44]3)[n:38]2)[CH2:32][CH2:33]1.[Na+:69]>>[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:28]4[CH2:29][CH2:30][CH:31]([c:34]5[n:35][n:36][c:37](-[c:39]6[n:40][cH:41][cH:42][cH:43][cH:44]6)[nH:38]5)[CH2:32][CH2:33]4)[cH:18][cH:19]3)[n:7][c:8]2[cH:9][cH:10][n:11]1