HRID287827

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

HCID457588

Benzenemethanamine, 3-bromo-N-methyl-

C8H10BrN

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：CNCc1cccc(-c2cccc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)c2)c1

HCID69023186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b46cf31a6a18489f956ead76d61c8350
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:34][c:35]1[cH:36][c:37]([CH2:38][NH:39][CH3:40])[cH:41][cH:42][cH:43]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.[CH3:49][OH:50].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[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][c:37]([CH2:38][NH:39][CH3:40])[cH:41][cH:42][cH:43]3)[cH:21][cH:22][cH:23]2)=[O:33])[CH2:13][CH2:14][CH2:15]1