HRID120380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID572064

3-chloro-1-phenylpropan-1-ol

C9H11ClO

HCID178430465

未命名化合物

PRODUCTS

生成物

结构：CC1CN(CCC(O)c2ccccc2)CCC1(C)c1cccc(-c2c[nH]nn2)c1

HCID178430528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c28b7cc5e275408c8767e73c1b95b8c2
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

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