HRID141401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：COc1ncc(Br)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1ccccc1)C(C)=O

HCID67212466

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(C#C[Si](C)(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1ccccc1)C(C)=O

HCID67212387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-374f8252a0e244899212b26dec3a41d2
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH3:10])=[O:11])[CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:30][CH3:31])[n:25][cH:26][c:27]([Br:29])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[CH3:32][Si:33]([CH3:34])([CH3:35])[C:36]#[CH:37].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:43][CH2:44][Cl:45].[Cu:53]([I:54])[I:55].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:97].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH3:10])=[O:11])[CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:30][CH3:31])[n:25][cH:26][c:27]([C:37]#[C:36][Si:33]([CH3:32])([CH3:34])[CH3:35])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1