HRID1206823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7932

3-Chloroaniline

C6H6ClN

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID23511694

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(F)(F)CC1CNc1cccc(Cl)c1

HCID66774597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9befa082795426f8af1de1d83c8c868
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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