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Acetic Acid → {1-[4-(3-Piperidin-1-yl-propoxy)-benzyl]-piperidin-4-yl}-pyridin-2-yl-(2-pyrrolidin-1-yl-ethyl)-amine

HRID 1152796
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HRID 1152796 반응식
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH3:58][C:59](=[O:60])[OH:61].[Cl:55][CH2:56][Cl:57].[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH:19]1[CH2:20][CH2:21][CH:22]([N:25]([CH2:26][CH2:27][N:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[n:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:23][CH2:24]1.[Na+:52].[Na+:54].[OH-:53]>>[N:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH2:15][N:19]3[CH2:20][CH2:21][CH:22]([N:25]([CH2:26][CH2:27][N:28]4[CH2:29][CH2:30][CH2:31][CH2:32]4)[c:33]4[n:34][cH:35][cH:36][cH:37][cH:38]4)[CH2:23][CH2:24]3)[cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium Ion2회HCID 961HydroxideHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 27663244-(3-Piperidin-1-ylpropoxy)benzaldehydeHCID 17962599Piperidin-4-yl-pyridin-2-yl-(2-pyrrolidin-1-yl-ethyl)-amine

생성물 1

HCID 10278949{1-[4-(3-Piperidin-1-yl-propoxy)-benzyl]-piperidin-4-yl}-pyridin-2-yl-(2-pyrrolidin-1-yl-ethyl)-amine

출처 및 근거

ORD 기록
ord-46cc6febe4264cf393888d19b37de923
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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