HRID1233860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID9321

Hydrazine

H4N2

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(N5C(=O)c6ccccc6C5=O)CCC4(C)C3CCC12C

HCID178442578

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(N)CCC4(C)C3CCC12C

HCID409821

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

C27H49N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50a82b9fa1854d3f91280b853ee334ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]1(=[O:2])[N:5]([CH:6]2[CH2:7][CH:8]3[CH2:9][CH2:10][CH:11]4[CH:12]5[CH2:13][CH2:14][CH:15]([CH:16]([CH2:17][CH2:18][CH2:19][CH:20]([CH3:21])[CH3:22])[CH3:23])[C:24]5([CH3:32])[CH2:25][CH2:26][CH:27]4[C:28]3([CH3:31])[CH2:29][CH2:30]2)[C:3](=[O:4])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]21.[CH3:44][OH:45].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[ClH:41].[NH2:39][NH2:40].[Na+:43].[OH-:42]>>[NH2:5][CH:6]1[CH2:7][CH:8]2[CH2:9][CH2:10][CH:11]3[CH:12]4[CH2:13][CH2:14][CH:15]([CH:16]([CH2:17][CH2:18][CH2:19][CH:20]([CH3:21])[CH3:22])[CH3:23])[C:24]4([CH3:32])[CH2:25][CH2:26][CH:27]3[C:28]2([CH3:31])[CH2:29][CH2:30]1