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Bicarbonate Ion → methyl hexahydro-4-[[4-(phenylmethoxy)phenyl]methyl]-1H-1,4-diazepine-1-butanoate

HRID 200415
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HRID 200415 반응식
[Br:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30].[C:38](=[O:39])([OH:40])[O-:41].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[c:1]1([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30])[CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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반응물 5

HCID 769Bicarbonate IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 107604Methyl 4-bromobutyrateHCID 11197238hexahydro-1-[[4-(phenylmethoxy)phenyl]methyl]-1H-1,4-diazepine

생성물 1

HCID 68489685methyl hexahydro-4-[[4-(phenylmethoxy)phenyl]methyl]-1H-1,4-diazepine-1-butanoate

출처 및 근거

ORD 기록
ord-f77dc1fca7c040b1a4b8ab71cc8de88a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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