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Ammonium → Tert-butyl 4-{2-[3-(aminocarbonyl)phenyl]ethyl}-1-piperidinecarboxylate

HRID 1150073
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HRID 1150073 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][c:16]2[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[Cl-:47].[ClH:25].[NH4+:48].[Na+:49].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[OH:50][C:51](=[O:52])[O-:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][c:16]2[cH:17][c:18]([C:19](=[O:20])[NH2:27])[cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 75771
1-Hydroxybenzotriazole
HCID 574218263-{2-[1-(Tert-butoxycarbonyl)-4-piperidinyl]ethyl]benzoic acid

생성물 1

HCID 57421827Tert-butyl 4-{2-[3-(aminocarbonyl)phenyl]ethyl}-1-piperidinecarboxylate

출처 및 근거

ORD 기록
ord-6708054d5fed4a7aa817f0c943c37715
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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