HRID181316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID397380

Methyl [(tert-butoxycarbonyl)amino](dimethoxyphosphoryl)acetate

C10H20NO7P

结构：CC(C)(C)N1C(=O)CC(c2ccc(C=O)cc2F)S1(=O)=O

HCID11616619

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1ccc(C2CC(=O)N(C(C)(C)C)S2(=O)=O)c(F)c1)NC(=O)OC(C)(C)C

HCID73016988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-697bf5124e7b483da245d6e17c3a1d03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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