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1,2-Dichloroethane → Ethyl 4-[3-hydroxy-3-(4-naphth-2-yl-phenyl)piperidin-1-ylcarbonyl]-3-hydroxy-3-ethoxycarbonylbutanoate

HRID 1537005
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HRID 1537005 반응식
[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH2:67]([Cl:68])[Cl:69].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[OH:1][C:2]1([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[cH:12][cH:13]2)[CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[OH:24][C:25]([CH2:26][C:27](=[O:28])[OH:29])([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[OH:1][C:2]1([c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[cH:12][cH:13]2)[CH2:3][N:4]([C:27]([CH2:26][C:25]([OH:24])([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40])=[O:28])[CH2:5][CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 153840823-Hydroxy-3-(4-naphth-2-ylphenyl)piperidine
HCID 15384083
Diethyl Citrate

생성물 1

HCID 19424723Ethyl 4-[3-hydroxy-3-(4-naphth-2-yl-phenyl)piperidin-1-ylcarbonyl]-3-hydroxy-3-ethoxycarbonylbutanoate

출처 및 근거

ORD 기록
ord-9cbc46ebcb174c4ba1afa02c1ea3556f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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