HRID95248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID22390972

未命名化合物

HCID22391000

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCOCC2)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21

HCID69794254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-821445dcfd9840c6ad86ab6f83b90339
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:21][c:22]1[c:23]([CH:35]=[O:36])[nH:24][c:25]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:26]1.[CH3:43][CH2:44][OH:45].[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].[OH2:46]>>[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:35][c:23]2[c:22]([CH3:21])[cH:26][c:25]([C:27](=[O:28])[N:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[nH:24]2)[cH:5][cH:6][c:7]1[F:8]