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Dimethylformamide → 1-(1-(2-(4-Oxo-2-phenyl-3-((pyridin-4-yl)methyl)thiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

HRID 91882
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HRID 91882 반응식
[CH3:78][C:79]#[N:80].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH:24]1[CH2:25][CH2:26][CH:27]([n:30]2[c:31](=[O:39])[nH:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1.[O:1]=[C:2]1[N:3]([CH2:17][c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[CH:4]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]1[CH2:7][C:8](=[O:9])[OH:10].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[n:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[O:1]=[C:2]1[N:3]([CH2:17][c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[CH:4]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[S:5][CH:6]1[CH2:7][C:8](=[O:9])[N:24]1[CH2:25][CH2:26][CH:27]([n:30]2[c:31](=[O:39])[nH:32][c:33]3[c:34]2[cH:35][cH:36][cH:37][cH:38]3)[CH2:28][CH2:29]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 59555308
2-(4-Oxo-2-phenyl-3-((pyridin-4-yl)methyl)thiazolidin-5-yl)acetic acid

생성물 1

HCID 595550791-(1-(2-(4-Oxo-2-phenyl-3-((pyridin-4-yl)methyl)thiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

출처 및 근거

ORD 기록
ord-e4274d0318c34254a0771594fae9e09d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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