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

HRID 158212

反応式

HRID 158212 の反応式
[C:1]([O:2][C:3](=[O:4])[CH:5]([CH2:6][S:7]([N:8]1[CH2:9][CH2:10][N:11]([c:12]2[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]2)[CH2:19][CH2:20]1)(=[O:21])=[O:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])([CH3:27])[CH3:28].[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]1[N:58]([C:63]([CH:64]([CH:65]([CH3:66])[CH3:67])[CH2:68][S:69](=[O:70])(=[O:71])[Cl:72])=[O:73])[C:59](=[O:62])[O:60][CH2:61]1.[ClH:29].[ClH:30].[F:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([N:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[n:42][cH:43]2)[cH:36][cH:37]1>>[F:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([N:44]3[CH2:45][CH2:46][N:47]([S:69]([CH2:68][CH:64]([C:63]([N:58]4[CH:57]([CH2:50][c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[CH2:61][O:60][C:59]4=[O:62])=[O:73])[CH:65]([CH3:66])[CH3:67])(=[O:70])=[O:71])[CH2:48][CH2:49]3)[n:42][cH:43]2)[cH:36][cH:37]1

参加物

5

反応物 4

HCID 313Hydrochloric Acid2 回HCID 226466772-(4-Benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-3-methylbutane-1-sulfonyl chlorideHCID 22646694HCID 22646694、化合物HCID 698952502-[4-(4-Bromo-phenyl)piperazine-1-sulfonylmethyl]3-methylbutyric acid tert-butyl ester

生成物 1

HCID 226466874-Benzyl-3-[2-[[4-[5-(4-fluorophenyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

出典と根拠

ORDレコード
ord-97a7e805d3944f8cabd808ddb0b60edd
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

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