HRID699104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID11073648

n-boc-propargylamine

C8H13NO2

HCID21111395

3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-iodo-2-pyridinamine

C13H10Cl2FIN2O

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(Oc1cc(C#CCNC(=O)OC(C)(C)C)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID58885785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddb3711185344d5c886966952bb440a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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