Toluene → Ethyl 3-(3-dodec-1-ynylphenyl)prop-2-enoate

반응식

[C:1](#[C:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19][cH:20]1.[C:21](=[O:22])([O:23][CH2:24][CH3:25])[CH:26]=[P:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1](#[C:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:13]1[cH:14][c:15]([CH:16]=[CH:26][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:18][cH:19][cH:20]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

HCID 183729943-(1-Dodecynyl)benzaldehyde

생성물 1

HCID 53677505Ethyl 3-(3-dodec-1-ynylphenyl)prop-2-enoate

출처 및 근거

ORD 기록: ord-305db156904a49c189d7394d47cd6e00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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