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Methanol → 4-[4-[4-[4-(4-methoxybutoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]phenyl]piperazine-1-carboxylic acid benzyl ester

HRID 1207913
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반응식

HRID 1207913 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]([N:23]3[CH2:24][CH2:25][C:26]([c:29]4[cH:30][cH:31][c:32]([O:35][CH2:36][CH2:37][CH2:38][CH2:39][O:40][CH3:41])[cH:33][cH:34]4)([OH:42])[CH2:27][CH2:28]3)[cH:21][cH:22]2)[CH2:15][CH2:16]1.[CH3:52][OH:53].[Cl:54][CH2:55][Cl:56].[Na+:51].[OH-:50].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([c:17]2[cH:18][cH:19][c:20]([N:23]3[CH2:24][CH:25]=[C:26]([c:29]4[cH:30][cH:31][c:32]([O:35][CH2:36][CH2:37][CH2:38][CH2:39][O:40][CH3:41])[cH:33][cH:34]4)[CH2:27][CH2:28]3)[cH:21][cH:22]2)[CH2:15][CH2:16]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 545707054-[4-[4-Hydroxy-4-[4-(4-methoxybutoxy)phenyl]piperidin-1-yl]phenyl]piperazine-1-carboxylic acid benzyl ester

생성물 1

HCID 69677732
4-[4-[4-[4-(4-methoxybutoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]phenyl]piperazine-1-carboxylic acid benzyl ester

출처 및 근거

ORD 기록
ord-ae2ca7e1fce8487082143c87d96ddc31
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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