HRID214519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID58547788

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

C9H16OSi

结构：NC1=NC2(COC1)c1cc(O)ccc1Oc1c(F)cc(Br)cc12

HCID67437659

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(F)c3c(c2)C2(COCC(N)=N2)c2cc(O)ccc2O3)COC1

HCID89709356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35692ddf45ed431e8e39da34d7d25f86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH2:5]([N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH3:21].[CH3:45][Si:46]([C:47]#[C:48][C:49]1([CH3:53])[CH2:50][O:51][CH2:52]1)([CH3:54])[CH3:55].[Cu:138][I:139].[F-:4].[NH2:22][C:23]1=[N:24][C:25]2([CH2:26][O:27][CH2:28]1)[c:29]1[cH:30][c:31]([OH:44])[cH:32][cH:33][c:34]1[O:35][c:36]1[c:37]([F:43])[cH:38][c:39]([Br:42])[cH:40][c:41]12.[OH2:1].[OH2:2].[OH2:3].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[NH2:22][C:23]1=[N:24][C:25]2([CH2:26][O:27][CH2:28]1)[c:29]1[cH:30][c:31]([OH:44])[cH:32][cH:33][c:34]1[O:35][c:36]1[c:37]([F:43])[cH:38][c:39]([C:47]#[C:48][C:49]3([CH3:53])[CH2:50][O:51][CH2:52]3)[cH:40][c:41]12