HRID2311573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID527

Propanal

C3H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

结构：O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Cl)c(F)cc12

HCID21948186

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(O)c1c(F)c(Cl)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

HCID21948189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d62a970a3c64b76968181a77315d548
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

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