HRID102063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID3260420

未命名化合物

4 次

HCID21979937

4-Chloroisoquinolin-5-amine

C9H7ClN2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2cccc3cncc(Cl)c23)CC1

HCID21979850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a99629bb7e294f4f9deef3de6bdb4fde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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