HRID1212838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID3333106

5-Ethynyl-1-methyl-1H-imidazole

C6H6N2

结构：CC(C)n1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O

HCID86600915

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(-c2nc(C#Cc3cncn3C)c(N)nc2-c2ccccc2)ccc1=O

HCID11304455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52461ae27b8541da8f6236fdebe4dafd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:32](#[CH:33])[c:34]1[cH:35][n:36][cH:37][n:38]1[CH3:39].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cu:46][I:47].[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[Br:15].[OH2:40].[Pd:48]([Cl:49])[Cl:50].[c:51]1([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)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[C:33]#[C:32][c:34]1[cH:35][n:36][cH:37][n:38]1[CH3:39]