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1,2-Dichloroethane → [3-Amino-6-(1-propan-2-ylpiperidin-3-yl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

HRID 93900
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HRID 93900 반응식
[C:27]([O:28][BH-:29]([O:30][C:37](=[O:31])[CH3:38])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:39].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49](=[O:50])[OH:51].[CH3:56][C:57](=[O:58])[CH3:59].[Cl:52][CH2:53][CH2:54][Cl:55].[NH2:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH:11]1[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]1)[cH:10]2.[Na+:40]>>[NH2:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH:11]1[CH2:12][N:13]([CH:37]([CH3:38])[CH3:41])[CH2:14][CH2:15][CH2:16]1)[cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium IonHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 17978729(3-Amino-6-piperidin-3-yl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone

생성물 1

HCID 17978756[3-Amino-6-(1-propan-2-ylpiperidin-3-yl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

출처 및 근거

ORD 기록
ord-ce3e23d872ba4578a5a1daf4368eb459
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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