Sodium Ion → [2-Benzyl-4-(2-phenylethylamino)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

반응식

[BH4-:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:29]([c:30]2[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)=[O:44])[CH2:10][CH2:11][CH:12]([N:14]([C:15](=[O:16])[C:17]([F:18])([F:19])[F:20])[CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:13]1.[Na+:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:29]([c:30]2[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)=[O:44])[CH2:10][CH2:11][CH:12]([NH:14][CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:13]1

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 28123Borohydride

HCID 54315829HCID 54315829, 화합물

생성물 1

HCID 53828592[2-Benzyl-4-(2-phenylethylamino)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

출처 및 근거

ORD 기록: ord-e76962c8b2dc444bb6f8edecf4d4a0a3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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