HRID142429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID81531

Diisopropylethylamine

C8H19N

HCID83717

Copper iodide (CuI2)

CuI2

结构：O=C(NOCCO)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F

HCID11628180

未命名化合物

PRODUCTS

生成物

结构：C#Cc1ccc(Nc2c(C(=O)NOCCO)cc(CN3OCCC3=O)c(F)c2F)c(F)c1

HCID11698074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3f62d71472e45f692a2afa8ed5f1ce7
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

[CH2:67]([Cl:68])[Cl:69].[CH3:41][Si:42]([C:43]#[CH:44])([CH3:45])[CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][OH:66].[CH:32]([CH3:33])([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[Cu:70]([I:71])[I:72].[F-:47].[F:1][c:2]1[c:3]([NH:23][c:24]2[c:25]([F:31])[cH:26][c:27]([I:30])[cH:28][cH:29]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][N:17]2[O:18][CH2:19][CH2:20][C:21]2=[O:22])[c:14]1[F:15]>>[F:1][c:2]1[c:3]([NH:23][c:24]2[c:25]([F:31])[cH:26][c:27]([C:32]#[CH:33])[cH:28][cH:29]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][N:17]2[O:18][CH2:19][CH2:20][C:21]2=[O:22])[c:14]1[F:15]