Dimethylformamide → Methyl 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanoate

HRID 202625

반응식

HRID 202625 반응식
[B-:23]([F:24])([F:25])([F:26])[F:27].[CH2:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[CH3:63].[NH2:1][c:2]1[c:3]([Cl:22])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:14])[O-:15])[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21].[NH:64]1[CH2:65][CH2:66][CH:67]([N:70]2[C:71](=[O:80])[NH:72][c:73]3[cH:74][cH:75][cH:76][cH:77][c:78]3[CH2:79]2)[CH2:68][CH2:69]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[NH2:1][c:2]1[c:3]([Cl:22])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:15])[N:64]2[CH2:65][CH2:66][CH:67]([N:70]3[C:71](=[O:80])[NH:72][c:73]4[cH:74][cH:75][cH:76][cH:77][c:78]4[CH2:79]3)[CH2:68][CH2:69]2)[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21]

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 110425973-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneHCID 178500563HCID 178500563, 화합물

생성물 1

HCID 68590118Methyl 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanoate

출처 및 근거

ORD 기록
ord-d748618216b94f10a0270fecf78388c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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