Hydrochloric Acid → 4-((4-((((3-Isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl)amino)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-carboxylic acid

HRID 702121

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8028Tetrahydrofuran

HCID 68584353tert-butyl 4-{[4-({[(3-isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl]amino}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate

생성물 1

HCID 117122634-((4-((((3-Isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl)amino)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-carboxylic acid

출처 및 근거

ORD 기록: ord-3da0bcf0e56b40929ab115b95db37c74
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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