HRID2350694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6382

Dibromodifluoromethane

CBr2F2

HCID8028

Tetrahydrofuran

C4H8O

HCID75292

Tris(diethylamino)phosphine

C12H30N3P

结构：CCCCCC1CCC(C2CCC(c3ccc(C4CCC(=O)CC4)c(F)c3)CC2)CC1

HCID67171680

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(C2CCC(c3ccc(C4CCC(=C(F)F)CC4)c(F)c3)CC2)CC1

HCID66967205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1989016a6eb46779dc7259e2c9c1274
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:1][C:2]([F:3])([F:4])[Br:5].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH2:6]([N:7]([P:8]([N:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[N:14]([CH2:15][CH3:16])[CH2:17][CH3:18])[CH2:19][CH3:20])[CH3:21].[F:22][c:23]1[c:24]([CH:46]2[CH2:47][CH2:48][C:49](=[O:52])[CH2:50][CH2:51]2)[cH:25][cH:26][c:27]([CH:29]2[CH2:30][CH2:31][CH:32]([CH:35]3[CH2:36][CH2:37][CH:38]([CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH2:39][CH2:40]3)[CH2:33][CH2:34]2)[cH:28]1>>[C:2]([F:3])([F:4])=[C:49]1[CH2:48][CH2:47][CH:46]([c:24]2[c:23]([F:22])[cH:28][c:27]([CH:29]3[CH2:30][CH2:31][CH:32]([CH:35]4[CH2:36][CH2:37][CH:38]([CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH2:39][CH2:40]4)[CH2:33][CH2:34]3)[cH:26][cH:25]2)[CH2:51][CH2:50]1