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Hydrochloric Acid → 1-{2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one

HRID 202699
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인쇄 미리보기

반응식

HRID 202699 반응식
[CH3:1][S:2]([O:3][CH2:6][CH2:7][n:8]1[c:9](=[O:17])[nH:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)(=[O:4])=[O:5].[CH3:40][CH:41]([CH3:42])[CH2:43][C:44](=[O:45])[CH3:46].[ClH:18].[F:19][c:20]1[cH:21][cH:22][c:23]([C:26](=[O:27])[CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:24][cH:25]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:47]>>[CH2:6]([CH2:7][n:8]1[c:9](=[O:17])[nH:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2)[N:31]1[CH2:30][CH2:29][CH:28]([C:26]([c:23]2[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]2)=[O:27])[CH2:33][CH2:32]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 923Sodium Ion2회HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 214248212-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)ethyl methanesulfonate

생성물

1
HCID 118247341-{2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-71f635c9c1b0493595bc2989ba84b559
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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