HRID91626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCC(C2CCN(c3cc(Cl)ncn3)CC2)CC1

HCID59178818

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C2CCN(c3cc(OCc4ccccc4)ncn3)CC2)CC1

HCID59178855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9e713241a23484f92a98a623d23a23d
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

[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([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)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1.[H-:35].[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:3][c:4]([N:8]2[CH2:9][CH2:10][CH:11]([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)[CH2:12][CH2:13]2)[n:5][cH:6][n:7]1