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Bicarbonate Ion → N-[3,5-bis(trifluoromethyl)benzyl]-N-{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}urea

HRID 2151682
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HRID 2151682 반응식
[Cl:39][S:40](=[O:41])(=[O:42])[N:43]=[C:44]=[O:45].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[Na+:51].[O-:47][C:48]([OH:49])=[O:50].[OH2:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10](-[c:19]3[c:20]([O:28][CH3:29])[cH:21][cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[C:44]([NH2:43])=[O:45])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 70918Chlorosulfonyl isocyanateHCID 59343883[3,5-Bis(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amine

생성물 1

HCID 11599637
N-[3,5-bis(trifluoromethyl)benzyl]-N-{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}urea

출처 및 근거

ORD 기록
ord-e1dda41687e748c5aa715a35368c0a5e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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