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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 86664
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HRID 86664 반응식
[C:6](=[O:7])([O-:8])[O-:9].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:12][O:13][C:14]([CH:15]([CH2:16][C:17]([N:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:35])[NH:26][c:27]3[c:28]([cH:31][cH:32][cH:33][cH:34]3)[CH2:29][CH2:30]2)[CH2:22][CH2:23]1)=[O:36])[CH2:37][c:38]1[cH:39][c:40]([Br:46])[c:41]([NH2:45])[c:42]([Cl:44])[cH:43]1)=[O:47].[CH3:1][O:2][B:3]([OH:4])[OH:5].[CH3:54][OH:55].[Na+:10].[Na+:11]>>[CH3:1][c:40]1[cH:39][c:38]([CH2:37][CH:15]([C:14]([O:13][CH3:12])=[O:47])[CH2:16][C:17]([N:18]2[CH2:19][CH2:20][CH:21]([N:24]3[C:25](=[O:35])[NH:26][c:27]4[c:28]([cH:31][cH:32][cH:33][cH:34]4)[CH2:29][CH2:30]3)[CH2:22][CH2:23]2)=[O:36])[cH:43][c:42]([Cl:44])[c:41]1[NH2:45]
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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-5ec8e8f3f0974a6cbd75b9eadfa748ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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