Benzoic Acid → Alogliptin Impurity 13

반응식

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

참가 물질

반응물 3

HCID 243Benzoic Acid

HCID 111635842-((6-(3-Amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)benzonitrile

HCID 113574682-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

생성물 1

HCID 11738869Alogliptin Impurity 13

출처 및 근거

ORD 기록: ord-ac939d22bfef4e06843ec02f25b3a77d
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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