Ethanol → 2-Amino-7-chloro-3,5-dicarboethoxy-4-(m-trifluoromethylphenyl)-6-oxo-2-heptene

HRID 103434

반응식

HRID 103434 반응식
[CH3:37][CH2:38][OH:39].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]([CH:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[C:16]([CH2:17][Cl:18])=[O:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6][cH:7][cH:8]1)([F:26])[F:27].[NH2:28][C:29](=[CH:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH3:36]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:9]([CH:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[C:16]([CH2:17][Cl:18])=[O:19])[C:30](=[C:29]([NH2:28])[CH3:36])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:6][cH:7][cH:8]1)([F:26])[F:27]

참가 물질

4

반응물 3

HCID 702EthanolHCID 953082-Butenoic acid, 3-amino-, ethyl esterHCID 20037480Ethyl 2-(m-trifluoromethylphenyl-phenylmethyl)-4-chloro-3-oxobutanoate

생성물 1

HCID 867431312-Amino-7-chloro-3,5-dicarboethoxy-4-(m-trifluoromethylphenyl)-6-oxo-2-heptene

출처 및 근거

ORD 기록
ord-b8f51b41ca6f45bb9fb2c19fec8d2ed0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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