Triethyl phosphonoacetate → 6-O-ethyl 1-O-methyl 5-diethoxyphosphoryl-3-methylhex-2-enedioate
반응식
[Br:1][CH2:2][C:3](=[CH:4][C:5](=[O:6])[O:7][CH3:8])[CH3:9].[CH3:10][CH2:11][O:12][C:13](=[O:14])[CH2:15][P:16](=[O:17])([O:18][CH2:19][CH3:20])[O:21][CH2:22][CH3:23].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1>>[CH2:2]([C:3](=[CH:4][C:5](=[O:6])[O:7][CH3:8])[CH3:9])[CH:15]([C:13]([O:12][CH2:11][CH3:10])=[O:14])[P:16](=[O:17])([O:18][CH2:19][CH3:20])[O:21][CH2:22][CH3:23]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d06209402a8c4797a2a60709ce4f3552
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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