HRID697894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9584

o-Fluoroaniline

C6H6FN

HCID27833

2-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinoline

C14H17NO3

结构：O=C(O)CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21

HCID59352547

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21)Nc1ccccc1F

HCID59352416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8529e3e56548c1863954e9de330c6a
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

[CH2:42]([O:43][CH:44]1[CH:45]=[CH:46][c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[N:53]1[C:54]([O:55][CH2:56][CH3:57])=[O:58])[CH3:59].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:60]([Cl:61])([Cl:62])[Cl:63].[NH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[F:34].[O:1]=[C:2]1[N:3]([CH2:23][C:24](=[O:25])[OH:26])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[cH:14][c:15]3[c:16]([cH:21][c:22]12)[O:17][CH2:18][CH2:19][O:20]3>>[O:1]=[C:2]1[N:3]([CH2:23][C:24](=[O:26])[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[F:34])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][O:12][c:13]1[cH:14][c:15]3[c:16]([cH:21][c:22]12)[O:17][CH2:18][CH2:19][O:20]3