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Methanol → methyl 2-[(4-amino-3-chloro-5-methylphenyl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoate

HRID 943915
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HRID 943915 반응식
[C:6](=[O:7])([O-:8])[O-:9].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:1][O:2][B:3]([OH:4])[OH:5].[CH3:54][OH:55].[NH2:12][c:13]1[c:14]([Br:47])[cH:15][c:16]([CH2:17][CH:18]([C:19](=[O:20])[O:21][CH3:22])[CH2:23][C:24]([N:25]2[CH2:26][CH2:27][CH:28]([N:31]3[C:32](=[O:42])[NH:33][c:34]4[c:35]([cH:38][cH:39][cH:40][cH:41]4)[CH2:36][CH2:37]3)[CH2:29][CH2:30]2)=[O:43])[cH:44][c:45]1[Cl:46].[Na+:10].[Na+:11]>>[CH3:1][c:14]1[c:13]([NH2:12])[c:45]([Cl:46])[cH:44][c:16]([CH2:17][CH:18]([C:19](=[O:20])[O:21][CH3:22])[CH2:23][C:24]([N:25]2[CH2:26][CH2:27][CH:28]([N:31]3[C:32](=[O:42])[NH:33][c:34]4[c:35]([cH:38][cH:39][cH:40][cH:41]4)[CH2:36][CH2:37]3)[CH2:29][CH2:30]2)=[O:43])[cH:15]1
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반응물 6

HCID 887MethanolHCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 14178740MethylboratHCID 69064065methyl 2-[(4-amino-3-bromo-5-chlorophenyl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoate

생성물 1

HCID 69069159
methyl 2-[(4-amino-3-chloro-5-methylphenyl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoate

출처 및 근거

ORD 기록
ord-59d46d3382d64998ae10fdf824de9cf1
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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