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Bicarbonate Ion → Tert-butyl 3-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

HRID 1548985
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HRID 1548985 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:36](=[O:37])[OH:38])[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]3)[CH2:13]1.[C:54](=[O:55])([OH:56])[O-:57].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43]1.[Na+:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:36](=[O:38])[N:42]2[CH2:41][CH2:40][CH2:39][CH2:43]2)[CH2:11][CH:12]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[c:21]2[n:22][c:23]3[c:24]([n:25]2[CH2:26][CH2:27][CH2:28][CH2:29][O:30][CH3:31])[cH:32][cH:33][cH:34][cH:35]3)[CH2:13]1
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참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 31268PyrrolidineHCID 757711-HydroxybenzotriazoleHCID 583556255-[[1-(4-Methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

생성물 1

HCID 70237520
Tert-butyl 3-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-88f5c8e7015446dfb143f0c1389b39a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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