Benzene, 2-bromo-1,4-dimethyl- → Methyl 3-(4-((2,5-dimethylphenyl)ethynyl)phenyl)propanoate

반응식

[Br:15][c:16]1[c:17]([CH3:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]1.[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:7][cH:8]1>>[C:1](#[C:2][c:16]1[c:17]([CH3:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]1)[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:7][cH:8]1

참가 물질

반응물 2

HCID 11121Benzene, 2-bromo-1,4-dimethyl-

HCID 25150216Methyl 3-(4-Ethynylphenyl)propanoate

생성물 1

HCID 45112275Methyl 3-(4-((2,5-dimethylphenyl)ethynyl)phenyl)propanoate

출처 및 근거

ORD 기록: ord-a6fee8672e3044d4911038225fdc7f2a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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