HRID960772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

结构：Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)c(-c3ccccc3C(F)(F)F)nc12

HCID57556161

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：Cc1cccc2cc(Cn3nc(C#CC(C)(C)O)c4c(N)ncnc43)c(-c3ccccc3C(F)(F)F)nc12

HCID57556188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19aa3669507146cabcd23e2ecff30436
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:34][C:35]([CH3:36])([C:37]#[CH:38])[OH:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cu:52][I:53].[I:1][c:2]1[n:3][n:4]([CH2:12][c:13]2[c:14](-[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[n:15][c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1([C:38]#[C:37][C:35]([CH3:34])([CH3:36])[OH:39])[n:3][n:4]([CH2:12][c:13]2[c:14](-[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[n:15][c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12