HRID146900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID28123

Tetrahydroborate

H4B-

HCID498716

未命名化合物

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID58926762

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2sccc2N1C(=O)OC(C)C

HCID58926718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-681c4844dd9148b681d264d20cdd997d
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-:39].[C:35]([BH3-:36])#[N:37].[CH3:43][OH:44].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([s:16][cH:17][cH:18]2)[C:10](=[O:15])[CH2:11][CH:12]1[CH2:13][CH3:14].[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+:38].[Na+:40].[Na+:42].[OH-:41]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([s: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][CH:12]1[CH2:13][CH3:14]