HRID697385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：Oc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID2724143

未命名化合物

结构：COC(=O)c1ccc(CCC(C=O)CCc2ccc(C(=O)OC)cc2)cc1

HCID59397497

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2O)CCc2ccc(C(=O)OC)cc2)cc1

HCID67300567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5adcdfba6a4849ba92497a99e5aaccd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:6].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH:34](=[O:35])[CH:36]([CH2:37][CH2:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47][cH:48]1)[CH2:49][CH2:50][c:51]1[cH:52][cH:53][c:54]([C:55](=[O:56])[O:57][CH3:58])[cH:59][cH:60]1.[Cl-:61].[NH4+:62].[OH2:74].[OH:7][c:8]1[c:9]([CH2:10][P+:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1>>[OH:7][c:8]1[c:9]([CH:10]=[CH:34][CH:36]([CH2:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47][cH:48]2)[CH2:49][CH2:50][c:51]2[cH:52][cH:53][c:54]([C:55](=[O:56])[O:57][CH3:58])[cH:59][cH:60]2)[cH:30][cH:31][cH:32][cH:33]1