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Dimethylformamide → N-Cyclopropyl-4'-(5-{[(cyclopropylacetyl)amino]methyl}-1,3,4-oxadiazol-2-yl)-6-methyl-1,1'-biphenyl-3-carboxamide

HRID 204232
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HRID 204232 반응식
[CH:1]1([CH2:4][C:5](=[O:6])[OH:7])[CH2:2][CH2:3]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[NH2:51][CH2:52][c:53]1[n:54][n:55][c:56](-[c:58]2[cH:59][cH:60][c:61](-[c:64]3[cH:65][c:66]([C:71](=[O:72])[NH:73][CH:74]4[CH2:75][CH2:76]4)[cH:67][cH:68][c:69]3[CH3:70])[cH:62][cH:63]2)[o:57]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1.[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[n:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH:1]1([CH2:4][C:5](=[O:7])[NH:51][CH2:52][c:53]2[n:54][n:55][c:56](-[c:58]3[cH:59][cH:60][c:61](-[c:64]4[cH:65][c:66]([C:71](=[O:72])[NH:73][CH:74]5[CH2:75][CH2:76]5)[cH:67][cH:68][c:69]4[CH3:70])[cH:62][cH:63]3)[o:57]2)[CH2:2][CH2:3]1
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참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 138440Cyclopropaneacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 9997891
4'-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-N-cyclopropyl-6-methyl-1,1'-biphenyl-3-carboxamide

생성물 1

HCID 11743420N-Cyclopropyl-4'-(5-{[(cyclopropylacetyl)amino]methyl}-1,3,4-oxadiazol-2-yl)-6-methyl-1,1'-biphenyl-3-carboxamide

출처 및 근거

ORD 기록
ord-c75339cdce9643ecbb285c20bbb2c1e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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