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1,2-Dichloroethane → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[1-(methylamino)butan-2-yl]-3-prop-2-enylpiperidin-2-one

HRID 146944
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HRID 146944 반응식
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH:25]=[O:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH2:56]([Cl:57])[CH2:58][Cl:59].[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][NH2:36].[Na+:55]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH2:25][NH:36][CH3:35])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium IonHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 768343742-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanal

생성물 1

HCID 768347375-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[1-(methylamino)butan-2-yl]-3-prop-2-enylpiperidin-2-one

출처 및 근거

ORD 기록
ord-3b664469fb9b4b94a9efe38356d8856f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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