HRID206516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID74049

1-Methyl-4-piperidone

C6H11NO

结构：CC1(C)CC(Nc2nccc(-c3ccc(Br)s3)n2)CC(C)(C)N1

HCID57936128

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CN1CCC(O)(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1

HCID11418984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a81291ec0214e20ae82ffbb686e4916
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

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