HRID145282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID24350

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

CuI

HCID58547788

Trimethyl[(3-methyloxetan-3-yl)ethynyl]silane

C9H16OSi

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c(Br)c1)C(F)(F)F

HCID66582913

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC1(C#Cc2cc(C(C)(O)C(F)(F)F)ccc2N2CCN(S(=O)(=O)c3cccs3)CC2)COC1

HCID56932371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e2a8648f6a84cf28770e912a248bf10
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

[Br:1][c:2]1[cH:3][c:4]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[s:18][cH:19][cH:20][cH:21]2)[CH2:12][CH2:13]1.[CH3:36][Si:37]([C:38]#[C:39][C:40]1([CH3:44])[CH2:41][O:42][CH2:43]1)([CH3:45])[CH3:46].[CH:29]([NH:30][CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cu:124][I:125].[O:126]=[CH:127][N:128]([CH3:129])[CH3:130].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1([C:38]#[C:39][C:40]2([CH3:44])[CH2:41][O:42][CH2:43]2)[cH:3][c:4]([C:22]([C:23]([F:24])([F:25])[F:26])([CH3:27])[OH:28])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[s:18][cH:19][cH:20][cH:21]2)[CH2:12][CH2:13]1