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Hydrochloric Acid → methyl 5-amino-4-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

HRID 308711
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HRID 308711 반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH3:55][C:56]#[N:57].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:58][CH2:59][Cl:60].[ClH:31].[F:32][C:33]1([F:39])[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Cl:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30].[Na+:44].[Na+:45]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:36]4[CH2:35][CH2:34][C:33]([F:32])([F:39])[CH2:38][CH2:37]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 923Sodium Ion2회HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 81531DiisopropylethylamineHCID 27583524,4-Difluoropiperidine
HCID 67334081
methyl 5-amino-4-[7-[[4-(chloromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

생성물 1

HCID 67333435methyl 5-amino-4-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

출처 및 근거

ORD 기록
ord-f4dab178171f4df485e44af8c9d7a4b7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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