3-(Trifluoromethyl)benzaldehyde → 3-methyl-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2-phenylbutanamide

HRID 186120

반응식

HRID 186120 반응식
[CH3:13][CH:14]([CH:15]([C:16](=[O:17])[NH:18][CH:19]1[CH2:20][CH2:21][CH:22]2[CH2:23][NH:24][CH2:25][CH:26]12)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:33].[CH:34]1([CH:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[C:42]([NH:43][CH:44]2[CH:45]3[CH:46]([CH2:47][NH:48][CH2:49]3)[CH2:50][CH2:51]2)=[O:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([CH:11]=[O:12])[cH:8][cH:9][cH:10]1>>[CH3:2][N:24]1[CH2:23][CH:22]2[CH2:21][CH2:20][CH:19]([NH:18][C:16]([CH:15]([CH:14]([CH3:13])[CH3:33])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:17])[CH:26]2[CH2:25]1

참가 물질

4

반응물 3

HCID 679903-(Trifluoromethyl)benzaldehydeHCID 75150489N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-2,2-dicyclohexylacetamideHCID 77149707N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-3-methyl-2-phenylbutanamide

생성물 1

HCID 1784472153-methyl-N-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)-2-phenylbutanamide

출처 및 근거

ORD 기록
ord-772d7c1db93b4ef79f3080db7726e4fa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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