HRID817430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID587204

3,5-Difluorobenzonitrile

C7H3F2N

结构：O=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID11451428

1H-Imidazole-4-propanal, 1-(triphenylmethyl)-

C25H22N2O

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：N#Cc1cc(F)c(C(O)CCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c(F)c1

HCID66885515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-565680b14fb74afb8c50243c1576244e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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