HRID296217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID74506

Triphenylmethylphosphonium

C19H18P+

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(=O)CC1)C(C)C

HCID59752367

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：C=C1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)OC)C(C)C)CC1

HCID59752296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33b8efdf12564d55931f673370fe1f63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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