HRID2129623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID61400450

N-[(4-Bromophenyl)methyl]cyclopropanecarboxamide

C11H12BrNO

结构：CC1(C)OB(c2cccc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)c2)OC1(C)C

HCID69023528

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(-c2cccc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)c2)cc1)C1CC1

HCID69025089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9142b5a02ae442958a92ff0391b93886
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][NH:40][C:41](=[O:42])[CH:43]2[CH2:44][CH2:45]2)[cH:46][cH:47]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1.[CH3:53][OH:54].[Na+:59].[O-:55][C:56]([OH:57])=[O:58].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16]([NH:17][c:18]2[cH:19][c:20](-[c:35]3[cH:36][cH:37][c:38]([CH2:39][NH:40][C:41](=[O:42])[CH:43]4[CH2:44][CH2:45]4)[cH:46][cH:47]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1