HRID120071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID114942

Titanium(4+)

Ti+4

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID498716

未命名化合物

结构：O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

HCID736303

1-Fmoc-4-piperidone

C20H19NO3

HCID3260420

未命名化合物

4 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1

HCID67071345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae38d9412b6643c3bf8b5459b2d8d6f6
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

[C:14](=[O:15])([O:16][CH2:17][CH:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2-[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]21)[N:31]1[CH2:32][CH2:33][C:34](=[O:37])[CH2:35][CH2:36]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[C:41]([BH3-:42])#[N:43].[CH2:38]([OH:39])[CH3:40].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:58][CH:59]([CH3:60])[O-:61].[Na+:44].[OH2:62].[Ti+4:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH:34]2[CH2:33][CH2:32][N:31]([C:14](=[O:15])[O:16][CH2:17][CH:18]3[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4-[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]43)[CH2:36][CH2:35]2)[CH2:12][CH2:13]1