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Hydrochloric Acid → 4-[3-(6-Cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[3-(2,5-difluorophenyl)prop-2-enyl]piperidine-3-carboxylic acid

HRID 1557506
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인쇄 미리보기

반응식

HRID 1557506 반응식
[CH3:41][OH:42].[ClH:40].[F:1][c:2]1[c:3]([CH:9]=[CH:10][CH2:11][N:12]2[CH2:13][CH:14]([C:34](=[O:35])[O:36][CH3:37])[CH:15]([CH2:18][CH2:19][CH2:20][N:21]3[C:22](=[O:33])[CH2:23][O:24][c:25]4[c:26]3[cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]4)[CH2:16][CH2:17]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[Na+:39].[OH-:38].[OH2:43]>>[F:1][c:2]1[c:3]([CH:9]=[CH:10][CH2:11][N:12]2[CH2:13][CH:14]([C:34](=[O:35])[OH:36])[CH:15]([CH2:18][CH2:19][CH2:20][N:21]3[C:22](=[O:33])[CH2:23][O:24][c:25]4[c:26]3[cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]4)[CH2:16][CH2:17]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1
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참가 물질

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반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 66774677Methyl 4-[3-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[3-(2,5-difluorophenyl)prop-2-enyl]piperidine-3-carboxylate

생성물 1

HCID 66774158
4-[3-(6-Cyano-3-oxo-1,4-benzoxazin-4-yl)propyl]-1-[3-(2,5-difluorophenyl)prop-2-enyl]piperidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-f59b6ae134b24d70a9206e86935fef18
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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