HRID1133681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ncc(Br)cc12

HCID59272389

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)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(O)ccc1O2

HCID67248032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1749a56f02a4d64ab9d59f9f1006e74
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

[CH2:114]1[O:115][CH2:116][CH2:117][CH2:118]1.[CH3:29][C:30]([C:31]#[CH:32])([CH3:33])[CH3:34].[CH:22]([NH:23][CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cu:112][I:113].[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([Br:19])[cH:17][c:18]12.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([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)[cH:110][cH:111]1>>[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([C:32]#[C:31][C:30]([CH3:29])([CH3:33])[CH3:34])[cH:17][c:18]12