HRID297168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7497

N,N-Diethylethanolamine

C6H15NO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CCCCc1nnc(Cl)cc1-c1ccc(OCc2ccccc2)cc1

HCID71303089

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nnc(OCCN(CC)CC)cc1-c1ccc(OCc2ccccc2)cc1

HCID53371810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0189ba97043d40108af406a7f887d1ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[c:26]([CH2:32][CH2:33][CH2:34][CH3:35])[n:27][n:28][c:29]([Cl:31])[cH:30]2)[cH:23][cH:24]1.[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][OH:6])[CH2:7][CH3:8].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[H-:10].[Na+:9].[OH2:36]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][O:6][c:29]1[n:28][n:27][c:26]([CH2:32][CH2:33][CH2:34][CH3:35])[c:25](-[c:22]2[cH:21][cH:20][c:19]([O:18][CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:24][cH:23]2)[cH:30]1)[CH2:7][CH3:8]