HRID1143022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

结构：Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCCC2N

HCID67423514

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCCC2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID72297304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d30ccc2c03224d139fc9d29ecf4e19c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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