HRID1575375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID3260420

未命名化合物

4 次

HCID68680367

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21

HCID86616062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07038aacac21436cbb7f41135f920fb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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