HRID96830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1596920

diethyl aminomethylphosphonate

C5H14NO3P

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CBr)cc1

HCID57925962

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CNCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)OC(C)(C)C)cc1)OCC

HCID57925892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fb1d775e9ec4637b13a9c1e915bc3b3
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

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][cH:22]3)[cH:17]2)[cH:7][cH:8]1.[C:31]([OH:32])(=[O:33])[C:34]([OH:35])=[O:36].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[NH2:37][CH2:38][P:39]([O:40][CH2:41][CH3:42])([O:43][CH2:44][CH3:45])=[O:46].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[NH:11][c:12]2[c:13]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:14][cH:15][c:16](-[c:18]3[s:19][cH:20][cH:21][cH:22]3)[cH:17]2)[cH:7][cH:8]1)[NH:37][CH2:38][P:39]([O:40][CH2:41][CH3:42])([O:43][CH2:44][CH3:45])=[O:46]