HRID164815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(c1cc2c(s1)C(C)(C)CCC2(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID23049225

未命名化合物

HCID54439227

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=C(C)C=CC=C(C)c1cc2c(s1)C(C)(C)CCC2(C)C

HCID53882835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a418de1d8ec346879e6f965b1a01ba4a
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

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