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Acetic Acid → 1-{3-[4-(3-Methyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

HRID 950174
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HRID 950174 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH:29]=[O:30])[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[C:48]([OH:49])(=[O:50])[CH3:51].[CH3:31][n:32]1[c:33](=[O:47])[n:34]([CH:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[c:35]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[Cl:57][CH2:58][Cl:59].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH2:29][N:44]3[CH2:43][CH2:42][CH:41]([n:34]4[c:33](=[O:47])[n:32]([CH3:31])[c:36]5[c:35]4[cH:40][cH:39][cH:38][cH:37]5)[CH2:46][CH2:45]3)[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1
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참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 149244491-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-oneHCID 865848181-(3-Oxo-propyl)-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

생성물 1

HCID 691598171-{3-[4-(3-Methyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8ebb58ec2c844a0d93d1ece547d52827
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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