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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 5-(7-Methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-{1-[(3-methylphenyl)sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-pyrazol-3-one

HRID 2323104
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반응식

HRID 2323104 반응식
[CH3:29][c:30]1[cH:31][c:32]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:33][cH:34][cH:35]1.[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([C:15]2=[N:19][N:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[C:17](=[O:26])[C:16]2([CH3:27])[CH3:28])[c:8]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]2.[ClH:1]>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([C:15]2=[N:19][N:18]([CH:20]3[CH2:21][CH2:22][N:23]([S:36]([c:32]4[cH:31][c:30]([CH3:29])[cH:35][cH:34][cH:33]4)(=[O:37])=[O:38])[CH2:24][CH2:25]3)[C:17](=[O:26])[C:16]2([CH3:27])[CH3:28])[c:8]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]2
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참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 27345953-Methylbenzenesulphonyl chlorideHCID 666165915-(7-Methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

생성물 1

HCID 673665315-(7-Methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-4-yl)-4,4-dimethyl-2-{1-[(3-methylphenyl)sulfonyl]piperidin-4-yl}-2,4-dihydro-3H-pyrazol-3-one

출처 및 근거

ORD 기록
ord-dfd4b688d32143f58f208667a2b79924
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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