HRID310014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID2733596

Diethyl aminoethylphosphonate

C6H16NO3P

HCID67010282

未命名化合物

PRODUCTS

产物

HCID76541035

(2-{6-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoylamino}-ethyl)-phosphonic acid diethyl ester

C28H46NO8PSi

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3784a5f25a684418aac6811fce758c39
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

[C:45]([OH:46])(=[O:47])[C:48]([OH:49])=[O:50].[CH2:51]([CH3:52])[O:53][P:54]([O:55][CH2:56][CH3:57])(=[O:58])[CH2:59][CH2:60][NH2:61].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:1][O:2][c:3]1[c:4]([CH2:21][CH:22]=[C:23]([CH2:24][CH2:25][C:26](=[O:27])[OH:28])[CH3:29])[c:5]([O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[c:6]2[c:10]([c:11]1[CH3:12])[CH2:9][O:8][C:7]2=[O:13].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:30][C:31]([O:32][CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37]>>[CH3:1][O:2][c:3]1[c:4]([CH2:21][CH:22]=[C:23]([CH2:24][CH2:25][C:26](=[O:27])[NH:61][CH2:60][CH2:59][P:54]([O:53][CH2:51][CH3:52])([O:55][CH2:56][CH3:57])=[O:58])[CH3:29])[c:5]([O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[c:6]2[c:10]([c:11]1[CH3:12])[CH2:9][O:8][C:7]2=[O:13]