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1,2-Dichloroethane → 1-[(5-Chloro-2-methoxy-3-pyridinyl)methyl]-4-[2-(cyclohexylmethyloxy)phenoxymethyl]piperidine

HRID 697942
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HRID 697942 반응식
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:48](=[O:49])([OH:50])[O-:51].[CH3:57][C:58](=[O:59])[OH:60].[CH:12]1([CH2:18][O:19][c:20]2[c:21]([O:22][CH2:23][CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[cH:30][cH:31][cH:32][cH:33]2)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[Cl:1][c:2]1[cH:3][c:4]([CH:10]=[O:11])[c:5]([O:8][CH3:9])[n:6][cH:7]1.[Cl:53][CH2:54][CH2:55][Cl:56].[Na+:47].[Na+:52]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:10][N:27]2[CH2:26][CH2:25][CH:24]([CH2:23][O:22][c:21]3[c:20]([O:19][CH2:18][CH:12]4[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]4)[cH:33][cH:32][cH:31][cH:30]3)[CH2:29][CH2:28]2)[c:5]([O:8][CH3:9])[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 2724942TriacetoxyborohydrideHCID 135677575-Chloro-2-methoxynicotinaldehydeHCID 178378784-[2-(Cyclohexylmethyloxy)phenoxymethyl]piperidine

생성물 1

HCID 226783551-[(5-Chloro-2-methoxy-3-pyridinyl)methyl]-4-[2-(cyclohexylmethyloxy)phenoxymethyl]piperidine

출처 및 근거

ORD 기록
ord-81b811bb6fac44779c5ce048a87f4f5b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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