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Hydrochloric Acid → 6-chloro-1-{3-[4-(4-fluorobenzoyl)-1-piperidinyl] propyl}-1,3-dihydro-2H-benzimidazol-2-one

HRID 200905
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인쇄 미리보기

반응식

HRID 200905 반응식
[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH2:12][CH2:13][Cl:14])[c:8](=[O:10])[nH:9]2)[cH:15]1.[ClH:16].[F:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[O:25])[CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:22][cH:23]1.[I-:39].[K+:38].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH2:12][CH2:13][N:29]3[CH2:28][CH2:27][CH:26]([C:24]([c:21]4[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]4)=[O:25])[CH2:31][CH2:30]3)[c:8](=[O:10])[nH:9]2)[cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium Ion2회HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 2724440
4-(4-Fluorobenzoyl)piperidine
HCID 203855876-chloro-1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

생성물 1

HCID 214248236-chloro-1-{3-[4-(4-fluorobenzoyl)-1-piperidinyl] propyl}-1,3-dihydro-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-aa8f301b69ab43d89ff17c9d3f4a7548
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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