HRID313212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7666

Phenethyl bromide

C8H9Br

结构：NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1

HCID44434057

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(Oc2ccc(CCN(CCc3ccccc3)Cc3ccccc3)cc2)nc1

HCID59729989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73fb5712e4094fdebbdee1e49a7e37c1
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

[Br:32][CH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[C:1](=[O:2])([OH:3])[O-:4].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][c:21]2[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]2)[cH:30][cH:31]1.[Na+:5].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:13]([CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][c:21]2[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]2)[cH:30][cH:31]1)[CH2:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1