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Potassium Cation → Ethyl 2-methoxy-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]acrylate

HRID 2150100
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HRID 2150100 반응식
[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[O:15][CH3:16])[CH3:8].[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([CH2:31][NH:32][C:33]([c:34]2[c:35]([O:42][CH3:43])[cH:36][cH:37][c:38]([CH:40]=[O:41])[cH:39]2)=[O:44])[cH:29][cH:30]1)([F:45])[F:46].[K+:22].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47]>>[C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([O:15][CH3:16])=[CH:40][c:38]1[cH:37][cH:36][c:35]([O:42][CH3:43])[c:34]([C:33]([NH:32][CH2:31][c:28]2[cH:27][cH:26][c:25]([C:24]([F:23])([F:45])[F:46])[cH:30][cH:29]2)=[O:44])[cH:39]1
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7

반응물 6

HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 120946615-Formyl-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-benzamideHCID 15638229Ethyl 2-(diethoxyphosphoryl)-2-methoxyacetate

생성물 1

HCID 69758375
Ethyl 2-methoxy-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]acrylate

출처 및 근거

ORD 기록
ord-a603047268884d0bbc38fc07b79c05d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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