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Sodium Ion → Methyl 2-[4-[2-[4-(3-chlorophenyl)-3-oxobut-1-enyl]-6-oxopiperidin-1-yl]but-2-ynoxy]acetate

HRID 1231876
노트
인쇄 미리보기

반응식

HRID 1231876 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:20][O:21][C:22]([CH2:23][O:24][CH2:25][C:26]#[C:27][CH2:28][N:29]1[CH:30]([CH:36]=[O:37])[CH2:31][CH2:32][CH2:33][C:34]1=[O:35])=[O:38].[CH3:3][O:4][P:5](=[O:6])([O:7][CH3:8])[CH2:9][C:10]([CH2:11][c:12]1[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]1)=[O:19].[H-:1].[Na+:2]>>[CH:9]([C:10]([CH2:11][c:12]1[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]1)=[O:19])=[CH:36][CH:30]1[N:29]([CH2:28][C:27]#[C:26][CH2:25][O:24][CH2:23][C:22]([O:21][CH3:20])=[O:38])[C:34](=[O:35])[CH2:33][CH2:32][CH2:31]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 166653HydrideHCID 12989750Dimethyl [3-(3-chlorophenyl)-2-oxopropyl]phosphonateHCID 87660165Methyl 2-[4-(2-formyl-6-oxopiperidin-1-yl)but-2-ynoxy]acetate

생성물 1

HCID 69023740Methyl 2-[4-[2-[4-(3-chlorophenyl)-3-oxobut-1-enyl]-6-oxopiperidin-1-yl]but-2-ynoxy]acetate

출처 및 근거

ORD 기록
ord-2b0326dd03984d988bb6a6b6cd9de58c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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