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Methanol → 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-hydroxypropyl)pyrazol-3-yl]propanamide

HRID 1240174
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HRID 1240174 반응식
[CH2:55]([Cl:56])[Cl:57].[CH3:58][OH:59].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][C:22](=[O:23])[OH:24])[cH:19][cH:20]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:31][C:32]([C:33]([Cl:34])=[O:35])=[O:36].[NH2:45][c:46]1[cH:47][cH:48][n:49]([CH2:50][CH:51]([OH:52])[CH3:53])[n:54]1.[n:37]1[c:38]([CH3:39])[cH:40][cH:41][cH:42][c:43]1[CH3:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][CH:22]([OH:24])[CH3:32])[cH:19][cH:20]2)[CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]
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반응물 6

HCID 887MethanolHCID 6344DichloromethaneHCID 79372,6-LutidineHCID 65578Oxalyl chlorideHCID 552846691-(3-amino-1H-pyrazol-1-yl)propan-2-olHCID 671893332-[3-[[2-(3-Chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazol-1-yl]acetic acid

생성물 1

HCID 67190477
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-hydroxypropyl)pyrazol-3-yl]propanamide

출처 및 근거

ORD 기록
ord-73d48273e92b4d8889d0499b7248c83c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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