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

HRID 112481

반응식

HRID 112481 반응식
[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].[Cl:26][S:27](=[O:28])(=[O:29])[c:30]1[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]1.[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:27](=[O:28])(=[O:29])[c:30]4[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]4)[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 117830Benzoic acid, 2-(chlorosulfonyl)-, methyl esterHCID 666164075-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

생성물 1

HCID 46189879Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate

출처 및 근거

ORD 기록
ord-fdcb4bbb678541449ea9336accb01ed3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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