HRID2329808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8003

Pentane

C5H12

HCID166653

Hydride

H-

反应SMILES：Cc1ccsc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID20285686

未命名化合物

HCID54295620

Ethyl 3,7-dimethyl-8-oxoocta-2,4,6-trienoate

C12H16O3

PRODUCTS

产物

反应SMILES：CCOC(=O)C=C(C)C=CC=C(C)C=Cc1sccc1C

HCID54122716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fd7412aad06b493fa413f19e5ea11974
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br-:3].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[CH3:4][c:5]1[c:6]([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)[s:7][cH:8][cH:9]1.[CH3:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:56][OH:57].[CH:35](=[O:36])[C:37](=[CH:38][CH:39]=[CH:40][C:41](=[CH:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH3:48])[CH3:49].[H-:1].[Na+:2].[OH2:55]>>[CH3:4][c:5]1[c:6]([CH:10]=[CH:35][C:37](=[CH:38][CH:39]=[CH:40][C:41](=[CH:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH3:48])[CH3:49])[s:7][cH:8][cH:9]1