HRID2153741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID3260420

未命名化合物

4 次

结构：O=C1CCc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc21

HCID66757045

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC2CCc3cc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)CC1

HCID57765814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ae85534ec9347ddbbbb57143a86906b
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

[BH4-:42].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][OH:62].[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([N:23]2[CH2:24][CH2:25][CH:26]([O:29][c:30]3[cH:31][c:32]4[c:36]([cH:37][cH:38]3)[C:35](=[O:39])[CH2:34][CH2:33]4)[CH2:27][CH2:28]2)[cH:21][cH:22]1)([F:40])[F:41].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[Na+:43].[Ti+4:48]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1)[CH:35]1[CH2:34][CH2:33][c:32]2[cH:31][c:30]([O:29][CH:26]3[CH2:25][CH2:24][N:23]([c:20]4[cH:19][cH:18][c:17]([C:16]([F:15])([F:40])[F:41])[cH:22][cH:21]4)[CH2:28][CH2:27]3)[cH:38][cH:37][c:36]21