Hydrochloric Acid → 4-Benzyl-3-[2-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

HRID 149837

반응식

HRID 149837 반응식
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH:29]1[N:30]([C:35]([CH:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][S:41](=[O:42])(=[O:43])[Cl:44])=[O:45])[C:31](=[O:34])[O:32][CH2:33]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:53][CH2:54][Cl:55].[ClH:1].[ClH:2].[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][n:12][c:13]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[n:14][cH:15]2)[cH:8][cH:9]1>>[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][n:12][c:13]([N:16]3[CH2:17][CH2:18][N:19]([S:41]([CH2:40][CH:36]([C:35]([N:30]4[CH:29]([CH2:22][c:23]5[cH:24][cH:25][cH:26][cH:27][cH:28]5)[CH2:33][O:32][C:31]4=[O:34])=[O:45])[CH:37]([CH3:38])[CH3:39])(=[O:42])=[O:43])[CH2:20][CH2:21]3)[n:14][cH:15]2)[cH:8][cH:9]1

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 226466735-(4-Fluorophenyl)-2-(piperazin-1-yl)pyrimidineHCID 226466772-(4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-3-methylbutane-1-sulfonyl chloride

생성물 1

HCID 226466834-Benzyl-3-[2-[[4-[5-(4-fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

출처 및 근거

ORD 기록
ord-390d121d71254d1e834b872dac6432af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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