Sodium ion → [2-(cyclohexyl-methoxy-methyl)-5-trifluoromethyl-benzyl]-(2-methyl-2H-tetrazol-5-yl)-amine

HRID 321806

반응식

HRID 321806 반응식
[BH4-:29].[CH3:22][n:23]1[n:24][c:25]([NH2:28])[n:26][n:27]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH:1]1([CH:7]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[O:20][CH3:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:30]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][NH:28][c:25]3[n:24][n:23]([CH3:22])[n:27][n:26]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[O:20][CH3:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

6

반응물 5

HCID 923Sodium ionHCID 1140TolueneHCID 28123BorohydrideHCID 1386772-methyl-2H-1,2,3,4-tetrazol-5-amineHCID 589686992-(Cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)benzaldehyde

생성물 1

HCID 58968679[2-(cyclohexyl-methoxy-methyl)-5-trifluoromethyl-benzyl]-(2-methyl-2H-tetrazol-5-yl)-amine

출처 및 근거

ORD 기록
ord-37a334f436f54dafa23d8b443f75118b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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