Calcium Cation → [2-(3-Methyl-1-piperidinyl)-5-nitrophenyl]-(4-chlorophenyl)-methanone

HRID 108623

반응식

HRID 108623 반응식
[CH3:20][CH:21]1[CH2:22][NH:23][CH2:24][CH2:25][CH2:26]1.[CH3:32][CH2:33][OH:34].[Ca+2:27].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[O-:28][C:29](=[O:30])[O-:31]>>[c:2]1([N:23]2[CH2:22][CH:21]([CH3:20])[CH2:26][CH2:25][CH2:24]2)[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1

참가 물질

6

반응물 5

HCID 271Calcium CationHCID 702EthanolHCID 19660Carbonate IonHCID 790813-MethylpiperidineHCID 875720(2-Chloro-5-nitro-phenyl)-(4-chloro-phenyl)-methanone

생성물 1

HCID 15072459[2-(3-Methyl-1-piperidinyl)-5-nitrophenyl]-(4-chlorophenyl)-methanone

출처 및 근거

ORD 기록
ord-019912496ddb452f9243ef671e0d76e1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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