Tetrahydrofuran → N-(trans-4-Trifluoromethyl-cyclohexyl)-6-methylamino-5-amino-2-(4-trifluoromethyl-piperidinyl)-nicotinic acid amide

반응식

[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[F:1][C:2]([CH:3]1[CH2:4][CH2:5][CH:6]([NH:9][C:10]([c:11]2[c:12]([N:22]3[CH2:23][CH2:24][CH:25]([C:28]([F:29])([F:30])[F:31])[CH2:26][CH2:27]3)[n:13][c:14]([NH:20][CH3:21])[c:15]([N+:17]([O-:18])=[O:19])[cH:16]2)=[O:32])[CH2:7][CH2:8]1)([F:33])[F:34]>>[F:1][C:2]([CH:3]1[CH2:4][CH2:5][CH:6]([NH:9][C:10]([c:11]2[c:12]([N:22]3[CH2:23][CH2:24][CH:25]([C:28]([F:29])([F:30])[F:31])[CH2:26][CH2:27]3)[n:13][c:14]([NH:20][CH3:21])[c:15]([NH2:17])[cH:16]2)=[O:32])[CH2:7][CH2:8]1)([F:33])[F:34]

참가 물질

반응물 2

HCID 8028Tetrahydrofuran

HCID 86674499N-(trans-4-Trifluoromethyl-cyclohexyl)-6-methylamino-5-nitro-2-(4-trifluoromethyl-piperidinyl)-nicotinic acid amide

생성물 1

HCID 86674500N-(trans-4-Trifluoromethyl-cyclohexyl)-6-methylamino-5-amino-2-(4-trifluoromethyl-piperidinyl)-nicotinic acid amide

출처 및 근거

ORD 기록: ord-0bb9e2d175a84d0790a1476fed9388b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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