HRID174492

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

HCID59003235

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2c1C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2C(=O)OC(C)C

HCID86616077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-256b7546242f4418ab15dfe2ab09df2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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