HRID1225159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID6493749

4-(2-(pyrrolidin-1-yl)ethoxy)aniline

C12H18N2O

HCID22137321

未命名化合物

PRODUCTS

生成物

结构：Clc1cc(OC2CCCCO2)ccc1CNc1ccc(OCCN2CCCC2)cc1

HCID22137435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7667194d1a824098a6bd7f897c6d75b8
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-:38].[CH2:40]([Cl:41])[Cl:42].[CH3:43][OH:44].[Cl:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:9]1.[Mg+2:32].[N:17]1([CH2:22][CH2:23][O:24][c:25]2[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]2)[CH2:18][CH2:19][CH2:20][CH2:21]1.[Na+:39].[O-:33][S:34](=[O:35])(=[O:36])[O-:37]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:31][c:28]2[cH:27][cH:26][c:25]([O:24][CH2:23][CH2:22][N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:30][cH:29]2)[cH:6][cH:7][c:8]([O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:9]1