HRID949246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CC(C)(C)OC(=O)N1CCN(c2c(C=O)c3ccccc3n2-c2ccc(I)cc2)CC1

HCID11752925

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：CC(C)(C)OC(=O)N1CCN(c2c(C=O)c3ccccc3n2-c2ccc(-c3ccc(C#N)cc3)cc2)CC1

HCID11477668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f39ff03d9bd4a7387d04f2d2792b01a
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

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