HRID1148856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1I

HCID44222638

未命名化合物

HCID72207272

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：Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12

HCID16214860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9385d52fb8b4a7987c5af7515449dc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](#[CH:2])[c:3]1[cH:4][n:5][c:6]2[n:7]1[cH:8][cH:9][n:10][cH:11]2.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cu:131][I:132].[N:47]#[N:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[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.[n:12]1(-[c:17]2[cH:18][c:19]([NH:27][C:28]([c:29]3[cH:30][c:31]([I:36])[c:32]([CH3:35])[cH:33][cH:34]3)=[O:37])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:13][n:14][cH:15][cH:16]1>>[C:1](#[C:2][c:31]1[cH:30][c:29]([C:28]([NH:27][c:19]2[cH:18][c:17](-[n:12]3[cH:13][n:14][cH:15][cH:16]3)[cH:22][c:21]([C:23]([F:24])([F:25])[F:26])[cH:20]2)=[O:37])[cH:34][cH:33][c:32]1[CH3:35])[c:3]1[cH:4][n:5][c:6]2[n:7]1[cH:8][cH:9][n:10][cH:11]2