HRID2155334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6556

2-Methylbutane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID74049

1-Methyl-4-piperidone

C6H11NO

结构：CC1(C)CC(Nc2nccc(-c3ccc(Br)cc3)n2)CC(C)(C)N1

HCID57936126

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)cc2)CC1

HCID57936225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce26a0f06aca43d7830e10f046a13e65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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