HRID687747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)cc2c1

HCID16737130

未命名化合物

HCID59651823

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2ccc(C#C[Si](C)(C)C)c(F)c2)C1

HCID59651825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d49693fa6684afa9c76d9b6b4d2a033
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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