Triphenylphosphine → Methyl 2-(1-heptyn-1-yl)-4-(methyloxy)benzoate

HRID 143830

반응식

HRID 143830 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1.[CH:21]#[C:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[Cu:69][I:70].[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:21]#[C:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1

참가 물질

6

반응물 5

HCID 11776Triphenylphosphine2회HCID 123501-HeptyneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 10710352Methyl 4-methoxy-2-(trifluoromethylsulfonyloxy)benzoate

생성물 1

HCID 68536171Methyl 2-(1-heptyn-1-yl)-4-(methyloxy)benzoate

출처 및 근거

ORD 기록
ord-9a6b92cfc7904cbdbe0dcfdfbe420705
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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