HRID156613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8900

Heptane

C7H16

HCID110068

4-Fluoro-3-phenoxybenzaldehyde

C13H9FO2

HCID166653

Hydride

H-

结构：FC(F)(F)Oc1ccc(C(=CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C2CC2)cc1

HCID86744368

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(C=CC=C(c2ccc(OC(F)(F)F)cc2)C2CC2)cc1Oc1ccccc1

HCID54088045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3328d42bd796403a958ed788d2a09382
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][S:65](=[O:66])[CH3:67].[CH:4]1([C:7](=[CH:8][CH2:9][P+:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]2)[CH2:5][CH2:6]1.[Cl-:3].[ClH:56].[F:40][c:41]1[c:42]([O:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:43][c:44]([CH:45]=[O:46])[cH:47][cH:48]1.[H-:1].[Na+:2]>>[CH:4]1([C:7](=[CH:8][CH:9]=[CH:45][c:44]2[cH:43][c:42]([O:49][c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:41]([F:40])[cH:48][cH:47]2)[c:29]2[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]2)[CH2:5][CH2:6]1