HRID201596

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

HCID1596920

diethyl aminomethylphosphonate

C5H14NO3P

结构：COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=C(C)CCC(=O)O)C(=O)OC2

HCID67010282

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(CNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)OCC

HCID76541034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f03038a5cc4e199023c19b5794a86e
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: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][NH2:60].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]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: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]