HRID684332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID584216

4-(bromomethyl)benzamide

C8H8BrNO

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CNCC4)CC1

HCID66589660

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CN(Cc2ccc(C(N)=O)cc2)CC4)CC1

HCID44176511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6984a87128fe43f0905ae8ee981e769f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[NH2:38])[cH:39][cH:40]1.[C:41](=[O:42])([OH:43])[O-:44].[CH2:1]1[NH:2][CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([C:14](=[O:15])[NH:16][CH:17]4[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]4)[cH:11][c:12]3[c:13]21.[Na+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH2:1]1[N:2]([CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[NH2:38])[cH:39][cH:40]2)[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([C:14](=[O:15])[NH:16][CH:17]4[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]4)[cH:11][c:12]3[c:13]21