Hydrochloric Acid → 2-({4-[3-(3,4-Dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile

HRID 121615

반응식

HRID 121615 반응식
[C:26](#[N:27])[c:28]1[c:29]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:30][cH:31][cH:32][cH:33]1.[CH3:2][O:3][c:4]1[cH:5][c:6]([C:12]2=[N:16][N:15]([CH:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[C:14](=[O:23])[C:13]2([CH3:24])[CH3:25])[cH:7][cH:8][c:9]1[O:10][CH3:11].[ClH:1]>>[CH3:2][O:3][c:4]1[cH:5][c:6]([C:12]2=[N:16][N:15]([CH:17]3[CH2:18][CH2:19][N:20]([S:34]([c:29]4[c:28]([C:26]#[N:27])[cH:33][cH:32][cH:31][cH:30]4)(=[O:35])=[O:36])[CH2:21][CH2:22]3)[C:14](=[O:23])[C:13]2([CH3:24])[CH3:25])[cH:7][cH:8][c:9]1[O:10][CH3:11]

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 5223472-Cyanobenzenesulfonyl ChlorideHCID 666164075-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

생성물 1

HCID 498703902-({4-[3-(3,4-Dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile

출처 및 근거

ORD 기록
ord-5711188e8043486d8ab37b43d9980b21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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