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Hydrochloric Acid → 1-[4-[4-[4-(1,2-Benzisoxazol-3-yl)-1-piperidinyl]butoxy]-3-methoxyphenyl]ethanone

HRID 99576
노트
인쇄 미리보기

반응식

HRID 99576 반응식
[Br:23][CH2:24][CH2:25][CH2:26][CH2:27][O:28][c:29]1[c:30]([O:38][CH3:39])[cH:31][c:32]([C:35]([CH3:36])=[O:37])[cH:33][cH:34]1.[ClH:1].[K+:17].[K+:18].[NH:2]1[CH2:3][CH2:4][CH:5]([c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1.[O-:19][C:20]([O-:21])=[O:22].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[N:2]1([CH2:24][CH2:25][CH2:26][CH2:27][O:28][c:29]2[c:30]([O:38][CH3:39])[cH:31][c:32]([C:35]([CH3:36])=[O:37])[cH:33][cH:34]2)[CH2:3][CH2:4][CH:5]([c:8]2[n:9][o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 130764363-(Piperidin-4-yl)benzo[d]isoxazoleHCID 144071711-[4-(4-Bromobutoxy)3-methoxyphenyl]ethanone

생성물 1

HCID 103421951-[4-[4-[4-(1,2-Benzisoxazol-3-yl)-1-piperidinyl]butoxy]-3-methoxyphenyl]ethanone

출처 및 근거

ORD 기록
ord-6c1820947bb34e25b123794fca7de2c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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