HRID1151373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1318

1,10-Phenanthroline

C12H8N2

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID178418339

Butyllithium

C4H9Li

结构：CC(Oc1ccc(Cl)cc1)(C(=O)[O-])c1ccc(Oc2ccc(Cl)cc2)cc1

HCID178466573

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID12531902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de7106be8da4288adbd01dd1d6f78b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:22]([Li:23])[CH2:24][CH2:25][CH3:26].[CH3:27][C:28]([C:29](=[O:30])[O-:31])([c:32]1[cH:33][cH:34][c:35]([O:38][c:39]2[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]2)[cH:36][cH:37]1)[O:46][c:47]1[cH:48][cH:49][c:50]([Cl:53])[cH:51][cH:52]1.[CH3:54][I:55].[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[CH3:68][N:69]([P:70]([N:71]([CH3:72])[CH3:73])([N:74]([CH3:75])[CH3:76])=[O:77])[CH3:78].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:67].[cH:8]1[cH:9][c:10]2[cH:11][cH:12][c:13]3[c:14]([c:15]2[n:16][cH:17]1)[n:18][cH:19][cH:20][cH:21]3>>[CH3:1][O:31][C:29]([C:28]([CH3:27])([c:32]1[cH:33][cH:34][c:35]([O:38][c:39]2[cH:40][cH:41][c:42]([Cl:45])[cH:43][cH:44]2)[cH:36][cH:37]1)[O:46][c:47]1[cH:48][cH:49][c:50]([Cl:53])[cH:51][cH:52]1)=[O:30]