Toluene → 2-[3-(3,3-Dimethylbutyl)-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-5-yl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HRID 308158

반응식

HRID 308158 반응식
[CH3:1][C:2]([CH2:3][CH2:4][N:5]=[CH:6][c:7]1[cH:8][n:9][c:10]([CH:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[s:11]1)([CH3:25])[CH3:26].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[SH:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:32][C:33](=[O:34])[OH:35]>>[CH3:1][C:2]([CH2:3][CH2:4][N:5]1[CH:6]([c:7]2[cH:8][n:9][c:10]([CH:12]3[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[s:11]2)[S:27][CH:28]([CH2:32][C:33](=[O:34])[OH:35])[C:29]1=[O:30])([CH3:25])[CH3:26]

참가 물질

4

반응물 3

HCID 1140TolueneHCID 6268(+-)-Mercaptosuccinic acidHCID 57774452(z)-Tert-butyl 4-(5-((3,3-dimethylbutylimino)methyl)thiazol-2-yl)piperidine-1-carboxylate

생성물 1

HCID 766019892-[3-(3,3-Dimethylbutyl)-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-5-yl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

출처 및 근거

ORD 기록
ord-ea74fec3b1a44813a0dcc8651556d203
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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