Phenyl cyanate → 4-(3-Cyano-1,1-dimethyl-2-propynyl)anisole

반응식

[CH3:1][C:2]([CH:3]=[C:4]([Br:5])[Br:6])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1.[CH3:25][C:26]([c:27]1[cH:28][cH:29][c:30]([O:31][CH3:32])[cH:33][cH:34]1)([CH3:35])[C:36]#[C:37][CH3:38].[c:16]1([O:17][C:23]#[N:24])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][C:2]([C:3]#[C:4][C:23]#[N:24])([CH3:7])[c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1

참가 물질

반응물 3

HCID 70740Phenyl cyanate

HCID 190664224-(1,1-Dimethyl-3,3-dibromo-2-propenyl)anisole

HCID 190665084-(1,1-Dimethyl-2-butynyl)anisole

생성물 1

HCID 190664754-(3-Cyano-1,1-dimethyl-2-propynyl)anisole

출처 및 근거

ORD 기록: ord-477b475da8e842199151b64032baa789
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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