HRID202655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID66582

8-Quinolinecarboxylic acid

C10H7NO2

HCID11254522

1-[2-(4-fluorophenyl)ethyl]piperazine

C12H17FN2

HCID14722777

Quinoline-8-carbonyl chloride

C10H6ClNO

PRODUCTS

生成物

结构：O=C(c1cccc2cccnc12)N1CCN(CCc2ccc(F)cc2)CC1

HCID10155608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d88e01a4bdba491cb6eab8d4ca39fafb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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