Toluene → 2-[2-[2-(4-Tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HRID 1560142

반응식

HRID 1560142 반응식
[C:8]([CH3:9])([CH3:10])([CH3:11])[N:12]1[CH2:13][CH2:14][N:15]([c:18]2[c:19]([CH:20]=[O:21])[cH:22][c:23]([F:27])[cH:24][c:25]2[F:26])[CH2:16][CH2:17]1.[CH3:1][C:2]([CH2:3][CH2:4][NH2:5])([CH3:6])[CH3:7].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[SH:28][CH:29]([C:30](=[O:31])[OH:32])[CH2:33][C:34](=[O:35])[OH:36]>>[CH3:1][C:2]([CH2:3][CH2:4][N:5]1[CH:20]([c:19]2[c:18]([N:15]3[CH2:14][CH2:13][N:12]([C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:17][CH2:16]3)[c:25]([F:26])[cH:24][c:23]([F:27])[cH:22]2)[S:28][CH:29]([CH2:33][C:34](=[O:35])[OH:36])[C:30]1=[O:31])([CH3:6])[CH3:7]

참가 물질

5

출처 및 근거

ORD 기록
ord-5ae1c8a0ed3a4118b3d43340b275bcec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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