HRID1537951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15455

Tetraethyl methylenebis(phosphonate)

C9H22O6P2

结构：COc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccccc3)c(C)cc2c1

HCID86087159

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=Cc1ccc(Oc2c(-c3ccccc3)c(C)cc3cc(OC)ccc23)cc1)OCC

HCID86616666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-741972c590ae42b790dabd711abec9e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([P:2](=[O:3])([O:4][CH2:5][CH3:6])[O:7][CH2:8][CH3:9])[P:10]([O:11][CH2:12][CH3:13])([O:14][CH2:15][CH3:16])=[O:17].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:18][CH2:19][CH2:20][CH2:21][Li:22].[CH3:23][c:24]1[c:25](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:26]([O:36][c:37]2[cH:38][cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44]2)[c:27]2[cH:28][cH:29][c:30]([O:34][CH3:35])[cH:31][c:32]2[cH:33]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[OH2:62]>>[CH:1]([P:10]([O:11][CH2:12][CH3:13])([O:14][CH2:15][CH3:16])=[O:17])=[CH:41][c:40]1[cH:39][cH:38][c:37]([O:36][c:26]2[c:25](-[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:24]([CH3:23])[cH:33][c:32]3[c:27]2[cH:28][cH:29][c:30]([O:34][CH3:35])[cH:31]3)[cH:44][cH:43]1