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Sodium Ion → tert-butyl 2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetate

HRID 2311711
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반응식

HRID 2311711 반응식
[Br:32][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[Cl:3][c:4]1[cH:5][c:6]([CH2:30][OH:31])[c:7]([O:8][CH2:9][C:10](=[O:11])[N:12]2[CH:13]([CH3:27])[CH2:14][N:15]([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH:16]([CH3:18])[CH2:17]2)[cH:28][cH:29]1.[H-:1].[Na+:2].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:3][c:4]1[cH:5][c:6]([CH2:30][O:31][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[c:7]([O:8][CH2:9][C:10](=[O:11])[N:12]2[CH:13]([CH3:27])[CH2:14][N:15]([CH2:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH:16]([CH3:18])[CH2:17]2)[cH:28][cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 79177tert-Butyl bromoacetateHCID 166653HydrideHCID 219734062-[4-Chloro-2-(hydroxymethyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

생성물 1

HCID 178430722
tert-butyl 2-[[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methoxy]acetate

출처 및 근거

ORD 기록
ord-de86cfac3c33413aa427bf3561de2d81
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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