HRID113419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID22698

1-Pentyn-3-ol, 3-ethyl-

C7H12O

HCID24290

未命名化合物

HCID24350

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

CuI

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID57608389

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC)CCc1cccc(CCCNC(=O)C(F)(F)F)c1

HCID86628449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c5b6256bbc4059a894401ff8b4c205
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][NH:11][C:12]([C:13]([F:14])([F:15])[F:16])=[O:17])[cH:5][cH:6][cH:7]1.[CH2:18]([CH3:19])[C:20]([C:21]#[CH:22])([CH2:23][CH3:24])[OH:25].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cu:101][I:102].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd:60]([Cl:61])[Cl:62].[c:26]1([CH3:27])[cH:28][cH:29][cH:30][cH:31][c:32]1[P:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[CH3:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([CH2:22][CH2:21][C:20]([CH2:18][CH3:19])([CH2:23][CH3:24])[OH:25])[cH:3][c:4]([CH2:8][CH2:9][CH2:10][NH:11][C:12]([C:13]([F:14])([F:15])[F:16])=[O:17])[cH:5][cH:6][cH:7]1