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Acetic Acid → 1-(2-(4-(4-ethylbenzylamino)piperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one

HRID 100978
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HRID 100978 반응식
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:46](=[O:47])([O-:48])[OH:49].[CH2:22]([CH3:23])[c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1.[CH3:51][C:52](=[O:53])[OH:54].[CH:55]([Cl:56])([Cl:57])[Cl:58].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:45].[Na+:50]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:28][c:27]1[cH:26][cH:25][c:24]([CH2:22][CH3:23])[cH:31][cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 6212ChloroformHCID 208614-EthylbenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 593979071-(2-(4-aminopiperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one

생성물

1
HCID 593982381-(2-(4-(4-ethylbenzylamino)piperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one

출처 및 근거

ORD 기록
ord-41787f968019416f9ff7b27dad87104e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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