Ammonia → 5-iodo-1-(3-{1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione

반응식

[CH3:37][OH:38].[I:1][c:2]1[c:3](=[O:36])[n:4]([C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1.[NH3:39]>>[I:1][c:2]1[c:3](=[O:36])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1

참가 물질

반응물 3

HCID 222Ammonia

HCID 887Methanol

HCID 691348525-iodo-3-(phenylcarbonyl)-1-(3-{1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 691341435-iodo-1-(3-{1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-0c6a2c92d1404aa0a577dc7d915aa5e9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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