HRID1229203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID16239

(+/-)-3-Butyn-2-ol

C4H6O

HCID24290

未命名化合物

HCID24350

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

CuI

结构：Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O

HCID58008652

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-n1c(Cn2nc(C#CC(C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O

HCID66856965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64739e658f2344e29e4e6e8145b53daa
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

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:32][CH:33]([C:34]#[CH:35])[OH:36].[Cu:83][I:84].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14](-[c:25]3[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]3)[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2[I:11].[Pd:42]([Cl:43])[Cl:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14](-[c:25]3[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]3)[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2[C:35]#[C:34][CH:33]([CH3:32])[OH:36]