HRID689255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID11380407

Methyl 4-iodosalicylate

C8H7IO3

HCID22619414

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCS3)cc1O

HCID22619455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb0f777479c84dc18bc94762956a68cd
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:1](#[CH:2])[CH:3]([OH:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[S:11][CH2:10][CH2:9][C:8]2([CH3:15])[CH3:16].[CH2:37]([O:38][CH2:39][CH3:40])[CH3:41].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cu:83]([I:84])[I:85].[OH2:36].[OH:17][c:18]1[c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25][c:26]([I:28])[cH:27]1.[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>>[C:1](#[C:2][c:26]1[cH:25][cH:24][c:19]([C:20](=[O:21])[O:22][CH3:23])[c:18]([OH:17])[cH:27]1)[CH:3]([OH:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[S:11][CH2:10][CH2:9][C:8]2([CH3:15])[CH3:16]