HRID667723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：O=C(NCc1ccc(Br)nc1)c1cccc2c1cnn2-c1ccc(F)cc1

HCID44469661

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)C#Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1

HCID58138836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f4447ff18b34815a13564be90d68175
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[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[cH:14][n:15][n:16](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19][cH:20]2)[cH:6][n:7]1.[CH3:28][Si:29]([CH3:30])([CH3:31])[C:32]#[CH:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[Cu:51][I:52].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[c:2]1([C:33]#[C:32][Si:29]([CH3:28])([CH3:30])[CH3:31])[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[cH:14][n:15][n:16](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[c:17]3[cH:18][cH:19][cH:20]2)[cH:6][n:7]1