HRID2347005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8082

Piperidine

C5H11N

HCID11277086

未命名化合物

HCID22390972

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21

HCID49823346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62fa6b82313349548aa73490c3e89816
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][OH:48].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[N:16]([CH3:20])[C:17](=[O:19])[CH2:18]3)[cH:5][cH:6][c:7]1[F:8].[O:21]1[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][NH:29][C:30](=[O:31])[c:32]2[nH:33][c:34]([CH:38]=[O:39])[c:35]([CH3:37])[cH:36]2)[CH2:25][CH2:26]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[N:16]([CH3:20])[C:17](=[O:19])[C:18]3=[CH:38][c:34]2[nH:33][c:32]([C:30]([NH:29][CH2:28][CH2:27][N:24]3[CH2:23][CH2:22][O:21][CH2:26][CH2:25]3)=[O:31])[cH:36][c:35]2[CH3:37])[cH:5][cH:6][c:7]1[F:8]