HRID2314128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

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

HCID79346

Pent-4-yn-1-ol

C5H8O

反应SMILES：Nc1c(I)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

HCID86615762

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1c(C#CCCCO)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

HCID67520956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d4e5ee0076824f4a86ad6aa19cc28c25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:39](#[N:40])[CH3:41].[CH2:26]([CH2:27][CH2:28][C:29]#[CH:30])[OH:31].[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]([I:25])[c:23]2[NH2:24])[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[Cu:83][I:84].[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>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]([C:30]#[C:29][CH2:28][CH2:27][CH2:26][OH:31])[c:23]2[NH2:24])[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1